5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-2,2-diphenyl-pentanenitrile hydrochloride

Systemtic Name: 5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-2,2-diphenyl-pentanenitrile hydrochloride Openeye Name: 5-[4-(4-fluorobenzoyl)-1-piperidyl]-2,2-diphenyl-pentanenitrile hydrochloride CAS Name: 5-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-2,2-diphenylpentanenitrile hydrochloride IUPAC Name: 5-[4-(4-fluorobenzoyl)piperidin-1-yl]-2,2-diphenylpentanenitrile hydrochloride Traditional Name: 5-[4-(4-fluorobenzoyl)piperidino]-2,2-diphenyl-valeronitrile hydrochloride Formula: C29H30ClFN2O MolecularWeight: 477.012703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C29H29FN2O.ClH/c30-27-14-12-23(13-15-27)28(33)24-16-20-32(21-17-24)19-7-18-29(22-31,25-8-3-1-4-9-25)26-10-5-2-6-11-26;/h1-6,8-15,24H,7,16-21H2;1H