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

Systemtic Name: 1-[4-[2-dimethylaminoethyl-(phenylmethyl)amino]piperidin-1-yl]-3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]propan-1-one Openeye Name: 1-[4-[benzyl(2-dimethylaminoethyl)amino]-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: 1-[4-[2-dimethylaminoethyl-(phenylmethyl)amino]-1-piperidinyl]-3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-oxomethyl]phenyl]-1-propanone IUPAC Name: 1-[4-[benzyl(2-dimethylaminoethyl)amino]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-[benzyl(2-dimethylaminoethyl)amino]piperidino]-3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]propan-1-one Formula: C38H47N7O2 MolecularWeight: 633.82548

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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)N(CCN(C)C)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CCC(=O)N5CCC(CC5)N(CCN(C)C)CC6=CC=CC=C6

InChI

InChI=1S/C38H47N7O2/c1-28-24-31(38(47)45-27-32-25-39-42(4)37(32)40-34-12-8-9-13-35(34)45)15-14-30(28)16-17-36(46)43-20-18-33(19-21-43)44(23-22-41(2)3)26-29-10-6-5-7-11-29/h5-15,24-25,33,39H,16-23,26-27H2,1-4H3