2-(3,4-dimethoxyphenyl)-7-(4-fluorophenyl)-7-oxidanylidene-4-piperidin-1-yl-2-propan-2-yl-heptanenitrile hydrochloride

Systemtic Name: 2-(3,4-dimethoxyphenyl)-7-(4-fluorophenyl)-7-oxidanylidene-4-piperidin-1-yl-2-propan-2-yl-heptanenitrile hydrochloride Openeye Name: 2-(3,4-dimethoxyphenyl)-7-(4-fluorophenyl)-2-isopropyl-7-oxo-4-(1-piperidyl)heptanenitrile hydrochloride CAS Name: 2-(3,4-dimethoxyphenyl)-7-(4-fluorophenyl)-7-oxo-4-(1-piperidinyl)-2-propan-2-ylheptanenitrile hydrochloride IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-(4-fluorophenyl)-7-oxo-4-piperidin-1-yl-2-propan-2-ylheptanenitrile hydrochloride Traditional Name: 2-(3,4-dimethoxyphenyl)-7-(4-fluorophenyl)-2-isopropyl-7-keto-4-piperidino-enanthonitrile hydrochloride Formula: C29H38ClFN2O3 MolecularWeight: 517.075023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(CCC(=O)C1=CC=C(C=C1)F)N2CCCCC2)(C#N)C3=CC(=C(C=C3)OC)OC.Cl

Isomeric SMILES

CC(C)C(CC(CCC(=O)C1=CC=C(C=C1)F)N2CCCCC2)(C#N)C3=CC(=C(C=C3)OC)OC.Cl

InChI

InChI=1S/C29H37FN2O3.ClH/c1-21(2)29(20-31,23-10-15-27(34-3)28(18-23)35-4)19-25(32-16-6-5-7-17-32)13-14-26(33)22-8-11-24(30)12-9-22;/h8-12,15,18,21,25H,5-7,13-14,16-17,19H2,1-4H3;1H