1-[4-(cyclohexylamino)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-(cyclohexylamino)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-(cyclohexylamino)-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-(cyclohexylamino)-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-(cyclohexylamino)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-(cyclohexylamino)piperidino]-3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]propan-1-one Formula: C33H42N6O2 MolecularWeight: 554.72558

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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)NC6CCCCC6

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CCC(=O)N5CCC(CC5)NC6CCCCC6

InChI

InChI=1S/C33H42N6O2/c1-23-20-25(33(41)39-22-26-21-34-37(2)32(26)36-29-10-6-7-11-30(29)39)13-12-24(23)14-15-31(40)38-18-16-28(17-19-38)35-27-8-4-3-5-9-27/h6-7,10-13,20-21,27-28,34-35H,3-5,8-9,14-19,22H2,1-2H3