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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 5-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[4-(phenylmethyl)-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 5-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-(4-benzylpiperazino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H37N3O2/c1-22(2)27(21-28,24-11-12-25(31-3)26(19-24)32-4)13-8-14-29-15-17-30(18-16-29)20-23-9-6-5-7-10-23/h5-7,9-12,19,22H,8,13-18,20H2,1-4H3