[(2R)-3-(4-azanyl-3-methyl-5-nitro-phenyl)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Systemtic Name: [(2R)-3-(4-azanyl-3-methyl-5-nitro-phenyl)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Openeye Name: [(1R)-1-[(4-amino-3-methyl-5-nitro-phenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-2-oxo-ethyl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylic acid [(2R)-3-(4-amino-3-methyl-5-nitrophenyl)-1-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(4-amino-3-methyl-5-nitrophenyl)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylic acid [(1R)-1-(4-amino-3-methyl-5-nitro-benzyl)-2-keto-2-[4-(4-methylpiperazino)piperidino]ethyl] ester Formula: C35H48N8O6 MolecularWeight: 676.80562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(C(=O)N2CCC(CC2)N3CCN(CC3)C)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C(=CC(=C1)C[C@H](C(=O)N2CCC(CC2)N3CCN(CC3)C)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O)[N+](=O)[O-])N

InChI

InChI=1S/C35H48N8O6/c1-24-21-25(22-30(32(24)36)43(47)48)23-31(33(44)40-12-8-27(9-13-40)39-19-17-38(2)18-20-39)49-35(46)41-14-10-28(11-15-41)42-16-7-26-5-3-4-6-29(26)37-34(42)45/h3-6,21-22,27-28,31H,7-20,23,36H2,1-2H3,(H,37,45)/t31-/m1/s1