2-(3,4-dimethoxyphenyl)-5-(4-phenylpiperazin-1-yl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(4-phenylpiperazin-1-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(4-phenylpiperazin-1-yl)pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-(4-phenyl-1-piperazinyl)-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(4-phenylpiperazin-1-yl)-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(4-phenylpiperazino)valeronitrile Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H35N3O2/c1-21(2)26(20-27,22-11-12-24(30-3)25(19-22)31-4)13-8-14-28-15-17-29(18-16-28)23-9-6-5-7-10-23/h5-7,9-12,19,21H,8,13-18H2,1-4H3