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

Systemtic Name: 2-[4-(2-cyclohexylethyl)-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoyl 4-piperidin-4-ylpiperidine-1-carboxylate Openeye Name: [2-[4-(2-cyclohexylethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetyl] 4-(4-piperidyl)piperidine-1-carboxylate CAS Name: 4-(4-piperidinyl)-1-piperidinecarboxylic acid [2-[4-(2-cyclohexylethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]-1-oxoethyl] ester IUPAC Name: [2-[4-(2-cyclohexylethyl)-3-oxo-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-[4-(2-cyclohexylethyl)-3-keto-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetyl] ester Formula: C30H44N4O4 MolecularWeight: 524.69476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2CC3=CC=CC=C3NC(C2=O)CC(=O)OC(=O)N4CCC(CC4)C5CCNCC5

Isomeric SMILES

C1CCC(CC1)CCN2CC3=CC=CC=C3NC(C2=O)CC(=O)OC(=O)N4CCC(CC4)C5CCNCC5

InChI

InChI=1S/C30H44N4O4/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/h4-5,8-9,22-24,27,31-32H,1-3,6-7,10-21H2