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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(4-phenylpiperidin-1-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(4-phenyl-1-piperidyl)pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-(4-phenyl-1-piperidinyl)-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(4-phenylpiperidin-1-yl)-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(4-phenylpiperidino)valeronitrile Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(CC1)C2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCN1CCC(CC1)C2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H36N2O2/c1-21(2)27(20-28,24-11-12-25(30-3)26(19-24)31-4)15-8-16-29-17-13-23(14-18-29)22-9-6-5-7-10-22/h5-7,9-12,19,21,23H,8,13-18H2,1-4H3