2-(2-methylphenyl)-5-[4-(phenylcarbonyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(2-methylphenyl)-5-[4-(phenylcarbonyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 5-(4-benzoylpiperazin-1-yl)-2-isopropyl-2-(o-tolyl)pentanenitrile CAS Name: 5-(4-benzoyl-1-piperazinyl)-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-(4-benzoylpiperazin-1-yl)-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-(4-benzoylpiperazino)-2-isopropyl-2-(o-tolyl)valeronitrile Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCN2CCN(CC2)C(=O)C3=CC=CC=C3)(C#N)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(CCCN2CCN(CC2)C(=O)C3=CC=CC=C3)(C#N)C(C)C

InChI

InChI=1S/C26H33N3O/c1-21(2)26(20-27,24-13-8-7-10-22(24)3)14-9-15-28-16-18-29(19-17-28)25(30)23-11-5-4-6-12-23/h4-8,10-13,21H,9,14-19H2,1-3H3