EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:122046 - [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone

ChEBI IDCHEBI:122046
ChEBI Name[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone
Stars
DownloadsMolfile
FormulaC28H37N7O
Net Charge0
Average Mass487.652
Monoisotopic Mass487.30596
SMILESCc1cccc(N2CCN(C(=O)C3CCN(c4ncnc5c4nc4n5CCCCC4)CC3)CC2C)c1
InChIInChI=1S/C28H37N7O/c1-20-7-6-8-23(17-20)34-16-15-33(18-21(34)2)28(36)22-10-13-32(14-11-22)26-25-27(30-19-29-26)35-12-5-3-4-9-24(35)31-25/h6-8,17,19,21-22H,3-5,9-16,18H2,1-2H3
InChIKeyPJMXWGYUYMLFCR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone (CHEBI:122046) is a piperazines (CHEBI:26144)
Manual XrefsDatabases
LSM-33489LINCS