cyclopropyl-[2-(4-ethylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-piperidin-1-yl]methanone

Systemtic Name: cyclopropyl-[2-(4-ethylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-piperidin-1-yl]methanone Openeye Name: [5-(4-benzylpiperazine-1-carbonyl)-2-(4-ethylphenyl)-1-piperidyl]-cyclopropyl-methanone CAS Name: cyclopropyl-[2-(4-ethylphenyl)-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-piperidinyl]methanone IUPAC Name: [5-(4-benzylpiperazine-1-carbonyl)-2-(4-ethylphenyl)piperidin-1-yl]-cyclopropylmethanone Traditional Name: [5-(4-benzylpiperazine-1-carbonyl)-2-(4-ethylphenyl)piperidino]-cyclopropyl-methanone Formula: C29H37N3O2 MolecularWeight: 459.62298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CCC(CN2C(=O)C3CC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2CCC(CN2C(=O)C3CC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H37N3O2/c1-2-22-8-10-24(11-9-22)27-15-14-26(21-32(27)29(34)25-12-13-25)28(33)31-18-16-30(17-19-31)20-23-6-4-3-5-7-23/h3-11,25-27H,2,12-21H2,1H3