1-[3-(3,4-dimethoxyphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-piperidin-1-yl]ethanone

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-piperidin-1-yl]ethanone Openeye Name: 1-[3-(4-benzylpiperazine-1-carbonyl)-5-(3,4-dimethoxyphenyl)-1-piperidyl]ethanone CAS Name: 1-[3-(3,4-dimethoxyphenyl)-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-piperidinyl]ethanone IUPAC Name: 1-[3-(4-benzylpiperazine-1-carbonyl)-5-(3,4-dimethoxyphenyl)piperidin-1-yl]ethanone Traditional Name: 1-[3-(4-benzylpiperazine-1-carbonyl)-5-(3,4-dimethoxyphenyl)piperidino]ethanone Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC(C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(=O)N1CC(CC(C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H35N3O4/c1-20(31)30-18-23(22-9-10-25(33-2)26(16-22)34-3)15-24(19-30)27(32)29-13-11-28(12-14-29)17-21-7-5-4-6-8-21/h4-10,16,23-24H,11-15,17-19H2,1-3H3