[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C27H32ClN3O4 MolecularWeight: 498.01368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H32ClN3O4/c1-20(25(32)31-17-15-29(16-18-31)19-21-5-3-2-4-6-21)35-27(34)23-11-13-30(14-12-23)26(33)22-7-9-24(28)10-8-22/h2-10,20,23H,11-19H2,1H3