5-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-isopropyl-2-(o-tolyl)pentanenitrile CAS Name: 5-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-2-(o-tolyl)-5-(4-veratroylpiperazino)valeronitrile Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O3/c1-21(2)28(20-29,24-10-7-6-9-22(24)3)13-8-14-30-15-17-31(18-16-30)27(32)23-11-12-25(33-4)26(19-23)34-5/h6-7,9-12,19,21H,8,13-18H2,1-5H3