3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]-1-[4-[(phenylmethyl)amino]piperidin-1-yl]propan-1-one

Systemtic Name: 3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]-1-[4-[(phenylmethyl)amino]piperidin-1-yl]propan-1-one Openeye Name: 1-[4-(benzylamino)-1-piperidyl]-3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]propan-1-one CAS Name: 3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-oxomethyl]phenyl]-1-[4-[(phenylmethyl)amino]-1-piperidinyl]-1-propanone IUPAC Name: 1-[4-(benzylamino)piperidin-1-yl]-3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]propan-1-one Traditional Name: 1-[4-(benzylamino)piperidino]-3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]propan-1-one Formula: C34H38N6O2 MolecularWeight: 562.70452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CCC(=O)N5CCC(CC5)NCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CCC(=O)N5CCC(CC5)NCC6=CC=CC=C6

InChI

InChI=1S/C34H38N6O2/c1-24-20-27(34(42)40-23-28-22-36-38(2)33(28)37-30-10-6-7-11-31(30)40)13-12-26(24)14-15-32(41)39-18-16-29(17-19-39)35-21-25-8-4-3-5-9-25/h3-13,20,22,29,35-36H,14-19,21,23H2,1-2H3