cyclopropyl-[2-(3-methylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-piperidin-1-yl]methanone

Systemtic Name: cyclopropyl-[2-(3-methylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-piperidin-1-yl]methanone Openeye Name: [5-(4-benzylpiperazine-1-carbonyl)-2-(m-tolyl)-1-piperidyl]-cyclopropyl-methanone CAS Name: cyclopropyl-[2-(3-methylphenyl)-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-piperidinyl]methanone IUPAC Name: [5-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)piperidin-1-yl]-cyclopropylmethanone Traditional Name: [5-(4-benzylpiperazine-1-carbonyl)-2-(m-tolyl)piperidino]-cyclopropyl-methanone Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CCC(CN2C(=O)C3CC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2CCC(CN2C(=O)C3CC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H35N3O2/c1-21-6-5-9-24(18-21)26-13-12-25(20-31(26)28(33)23-10-11-23)27(32)30-16-14-29(15-17-30)19-22-7-3-2-4-8-22/h2-9,18,23,25-26H,10-17,19-20H2,1H3