6-[(3-ethyl-4-methyl-phenyl)methylamino]-3-(4-piperazin-1-ylbutyl)-5H-imidazo[4,5-c]pyridin-4-one

Systemtic Name: 6-[(3-ethyl-4-methyl-phenyl)methylamino]-3-(4-piperazin-1-ylbutyl)-5H-imidazo[4,5-c]pyridin-4-one Openeye Name: 6-[(3-ethyl-4-methyl-phenyl)methylamino]-3-(4-piperazin-1-ylbutyl)-5H-imidazo[4,5-c]pyridin-4-one CAS Name: 6-[(3-ethyl-4-methylphenyl)methylamino]-3-[4-(1-piperazinyl)butyl]-5H-imidazo[4,5-c]pyridin-4-one IUPAC Name: 6-[(3-ethyl-4-methylphenyl)methylamino]-3-(4-piperazin-1-ylbutyl)-5H-imidazo[4,5-c]pyridin-4-one Traditional Name: 6-[(3-ethyl-4-methyl-benzyl)amino]-3-(4-piperazinobutyl)-5H-imidazo[4,5-c]pyridin-4-one Formula: C24H34N6O MolecularWeight: 422.56636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CNC2=CC3=C(C(=O)N2)N(C=N3)CCCCN4CCNCC4)C

Isomeric SMILES

CCC1=C(C=CC(=C1)CNC2=CC3=C(C(=O)N2)N(C=N3)CCCCN4CCNCC4)C

InChI

InChI=1S/C24H34N6O/c1-3-20-14-19(7-6-18(20)2)16-26-22-15-21-23(24(31)28-22)30(17-27-21)11-5-4-10-29-12-8-25-9-13-29/h6-7,14-15,17,25H,3-5,8-13,16H2,1-2H3,(H2,26,28,31)