[2-oxidanylidene-2-(4-piperidin-4-ylpiperazin-1-yl)ethyl] (2R)-2-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-4-ylpiperazin-1-yl)ethyl] (2R)-2-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Openeye Name: [2-oxo-2-[4-(4-piperidyl)piperazin-1-yl]ethyl] (2R)-2-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate CAS Name: (2R)-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylic acid [2-oxo-2-[4-(4-piperidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-4-ylpiperazin-1-yl)ethyl] (2R)-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Traditional Name: (2R)-2-(4-hydroxy-3,5-dimethyl-benzyl)-4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylic acid [2-keto-2-[4-(4-piperidyl)piperazino]ethyl] ester Formula: C35H48N6O5 MolecularWeight: 632.79282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CC2CC(CCN2C(=O)OCC(=O)N3CCN(CC3)C4CCNCC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[C@@H]2CC(CCN2C(=O)OCC(=O)N3CCN(CC3)C4CCNCC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C35H48N6O5/c1-24-19-26(20-25(2)33(24)43)21-30-22-29(40-13-9-27-5-3-4-6-31(27)37-34(40)44)10-14-41(30)35(45)46-23-32(42)39-17-15-38(16-18-39)28-7-11-36-12-8-28/h3-6,19-20,28-30,36,43H,7-18,21-23H2,1-2H3,(H,37,44)/t29?,30-/m1/s1