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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-isopropyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperazino]-2-isopropyl-valeronitrile Formula: C27H34FN3O3 MolecularWeight: 467.575563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34FN3O3/c1-20(2)27(19-29,22-8-11-24(33-3)25(18-22)34-4)12-5-13-30-14-16-31(17-15-30)26(32)21-6-9-23(28)10-7-21/h6-11,18,20H,5,12-17H2,1-4H3