2-(3,4-dimethoxyphenyl)-5-[4-(phenylcarbonyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-(phenylcarbonyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 5-(4-benzoylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-(4-benzoyl-1-piperazinyl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-(4-benzoylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-(4-benzoylpiperazino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C27H35N3O3 MolecularWeight: 449.5851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O3/c1-21(2)27(20-28,23-11-12-24(32-3)25(19-23)33-4)13-8-14-29-15-17-30(18-16-29)26(31)22-9-6-5-7-10-22/h5-7,9-12,19,21H,8,13-18H2,1-4H3