CHEBI:113136 - 7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrile
ChEBI ID CHEBI:113136
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H22N4O2
Net Charge 0
Average Mass 386.447
Monoisotopic Mass 386.17428
InChI InChI=1S/C23H22N4O2/c1-16-5-3-4-6-20(16)23(28)27-11-9-26(10-12-27)22-18(15-24)13-17-7-8-19(29-2)14-21(17)25-22/h3-8,13-14H,9-12H2,1-2H3
InChIKey ACCCNIRLLPIOTR-UHFFFAOYSA-N
SMILES CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4)OC)C=C3C#N
ChEBI Ontology
Outgoing 7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrile (CHEBI:113136) is a piperazines (CHEBI:26144)
7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrile (CHEBI:113136) is a pyridines (CHEBI:26421)
Manual Xref Database
LSM-24547 LINCS
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