2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoyl 4-piperidin-4-ylpiperidine-1-carboxylate

Systemtic Name: 2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoyl 4-piperidin-4-ylpiperidine-1-carboxylate Openeye Name: [2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetyl] 4-(4-piperidyl)piperidine-1-carboxylate CAS Name: 4-(4-piperidinyl)-1-piperidinecarboxylic acid [1-oxo-2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethyl] ester IUPAC Name: [2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetyl] 4-piperidin-4-ylpiperidine-1-carboxylate Traditional Name: 4-(4-piperidyl)piperidine-1-carboxylic acid [2-(3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetyl] ester Formula: C30H38N4O4 MolecularWeight: 518.64712

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2CCN(CC2)C(=O)OC(=O)CC3C(=O)N(CC4=CC=CC=C4N3)CCC5=CC=CC=C5

Isomeric SMILES

C1CNCCC1C2CCN(CC2)C(=O)OC(=O)CC3C(=O)N(CC4=CC=CC=C4N3)CCC5=CC=CC=C5

InChI

InChI=1S/C30H38N4O4/c35-28(38-30(37)33-18-13-24(14-19-33)23-10-15-31-16-11-23)20-27-29(36)34(17-12-22-6-2-1-3-7-22)21-25-8-4-5-9-26(25)32-27/h1-9,23-24,27,31-32H,10-21H2