2-(3,4-dimethoxyphenyl)-5-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]-2-propan-2-yl-pentanenitrile Openeye Name: 5-[[1-[(E)-cinnamyl]-4-piperidyl]amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[[1-[(E)-3-phenylprop-2-enyl]-4-piperidinyl]amino]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]-2-propan-2-ylpentanenitrile Traditional Name: 5-[[1-[(E)-cinnamyl]-4-piperidyl]amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C30H41N3O2 MolecularWeight: 475.66544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCNC1CCN(CC1)CC=CC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCNC1CCN(CC1)C/C=C/C2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C30H41N3O2/c1-24(2)30(23-31,26-13-14-28(34-3)29(22-26)35-4)17-9-18-32-27-15-20-33(21-16-27)19-8-12-25-10-6-5-7-11-25/h5-8,10-14,22,24,27,32H,9,15-21H2,1-4H3/b12-8+