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

Systemtic Name: 2-(2-methylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 5-(4-benzylpiperazin-1-yl)-2-isopropyl-2-(o-tolyl)pentanenitrile CAS Name: 2-(2-methylphenyl)-5-[4-(phenylmethyl)-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 5-(4-benzylpiperazin-1-yl)-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-(4-benzylpiperazino)-2-isopropyl-2-(o-tolyl)valeronitrile Formula: C26H35N3 MolecularWeight: 389.5762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCN2CCN(CC2)CC3=CC=CC=C3)(C#N)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(CCCN2CCN(CC2)CC3=CC=CC=C3)(C#N)C(C)C

InChI

InChI=1S/C26H35N3/c1-22(2)26(21-27,25-13-8-7-10-23(25)3)14-9-15-28-16-18-29(19-17-28)20-24-11-5-4-6-12-24/h4-8,10-13,22H,9,14-20H2,1-3H3