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CHEBI:147303 - (1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione

Default Structure
ChEBI IDCHEBI:147303
ChEBI Name(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione
Stars
ASCII Name(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.1(3,7).1(8,12)]icosa-3(20),12(19)-diene-6,9-dione
DefinitionAn organic heterotetracyclic compound that is (1R,1'R)-[1,1'-bi(cyclohex-2-en-1-yl)]-6,6'-dione in which position 3 of each ring is joined to a methyl substituent of (2S,5S)-dimethylpiperazine.
Last Modified24 March 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H24N2O2
Net Charge0
Average Mass300.402
Monoisotopic Mass300.18378
SMILES[H][C@]12C=C(CCC1=O)C[C@H]1CN[C@H](CN1)CC1=C[C@@]2([H])C(=O)CC1
InChIInChI=1S/C18H24N2O2/c21-17-3-1-11-5-13-9-20-14(10-19-13)6-12-2-4-18(22)16(8-12)15(17)7-11/h7-8,13-16,19-20H,1-6,9-10H2/t13-,14-,15+,16+/m0/s1
InChIKeyTYXGLUBBUSNWRI-CAOSSQGBSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione (CHEBI:147303) is a azamacrocycle (CHEBI:52898)
(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione (CHEBI:147303) is a bridged compound (CHEBI:35990)
(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione (CHEBI:147303) is a cyclic ketone (CHEBI:3992)
(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione (CHEBI:147303) is a organic heterotetracyclic compound (CHEBI:38163)
(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione (CHEBI:147303) is a piperazines (CHEBI:26144)
(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione (CHEBI:147303) is conjugate base of (1S,7R,8R,14S)-6,9-dioxo-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-dien-15-ium (CHEBI:146146)
Incoming Relation(s)
(1S,7R,8R,14S)-6,9-dioxo-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-dien-15-ium (CHEBI:146146) is conjugate acid of (1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione (CHEBI:147303)
IUPAC Name 
(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione
Citations