2-(3,4-dimethoxyphenyl)-5-[4-(2-phenoxyethylamino)piperidin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-(2-phenoxyethylamino)piperidin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[4-(2-phenoxyethylamino)-1-piperidyl]pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[4-(2-phenoxyethylamino)-1-piperidinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[4-(2-phenoxyethylamino)piperidin-1-yl]-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[4-(2-phenoxyethylamino)piperidino]valeronitrile Formula: C29H41N3O3 MolecularWeight: 479.65414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(CC1)NCCOC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCN1CCC(CC1)NCCOC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C29H41N3O3/c1-23(2)29(22-30,24-11-12-27(33-3)28(21-24)34-4)15-8-17-32-18-13-25(14-19-32)31-16-20-35-26-9-6-5-7-10-26/h5-7,9-12,21,23,25,31H,8,13-20H2,1-4H3