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

Systemtic Name: 1-[3-(4-ethylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-piperidin-1-yl]ethanone Openeye Name: 1-[3-(4-benzylpiperazine-1-carbonyl)-5-(4-ethylphenyl)-1-piperidyl]ethanone CAS Name: 1-[3-(4-ethylphenyl)-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-piperidinyl]ethanone IUPAC Name: 1-[3-(4-benzylpiperazine-1-carbonyl)-5-(4-ethylphenyl)piperidin-1-yl]ethanone Traditional Name: 1-[3-(4-benzylpiperazine-1-carbonyl)-5-(4-ethylphenyl)piperidino]ethanone Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC(CN(C2)C(=O)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2CC(CN(C2)C(=O)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2/c1-3-22-9-11-24(12-10-22)25-17-26(20-30(19-25)21(2)31)27(32)29-15-13-28(14-16-29)18-23-7-5-4-6-8-23/h4-12,25-26H,3,13-20H2,1-2H3