5-(4-fluorophenyl)-4-methyl-2-(1-methylpyrrol-2-yl)-5-oxidanylidene-2-piperidin-1-yl-pentanenitrile hydrochloride

Systemtic Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methylpyrrol-2-yl)-5-oxidanylidene-2-piperidin-1-yl-pentanenitrile hydrochloride Openeye Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methylpyrrol-2-yl)-5-oxo-2-(1-piperidyl)pentanenitrile hydrochloride CAS Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methyl-2-pyrrolyl)-5-oxo-2-(1-piperidinyl)pentanenitrile hydrochloride IUPAC Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methylpyrrol-2-yl)-5-oxo-2-piperidin-1-ylpentanenitrile hydrochloride Traditional Name: 5-(4-fluorophenyl)-5-keto-4-methyl-2-(1-methylpyrrol-2-yl)-2-piperidino-valeronitrile hydrochloride Formula: C22H27ClFN3O MolecularWeight: 403.920683

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C#N)(C1=CC=CN1C)N2CCCCC2)C(=O)C3=CC=C(C=C3)F.Cl

Isomeric SMILES

CC(CC(C#N)(C1=CC=CN1C)N2CCCCC2)C(=O)C3=CC=C(C=C3)F.Cl

InChI

InChI=1S/C22H26FN3O.ClH/c1-17(21(27)18-8-10-19(23)11-9-18)15-22(16-24,20-7-6-12-25(20)2)26-13-4-3-5-14-26;/h6-12,17H,3-5,13-15H2,1-2H3;1H