5-(4-fluorophenyl)-4-methyl-2-(1-methylpyrrol-2-yl)-5-oxidanylidene-3-piperidin-1-yl-2-propan-2-yl-pentanenitrile hydrochloride

Systemtic Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methylpyrrol-2-yl)-5-oxidanylidene-3-piperidin-1-yl-2-propan-2-yl-pentanenitrile hydrochloride Openeye Name: 5-(4-fluorophenyl)-2-isopropyl-4-methyl-2-(1-methylpyrrol-2-yl)-5-oxo-3-(1-piperidyl)pentanenitrile hydrochloride CAS Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methyl-2-pyrrolyl)-5-oxo-3-(1-piperidinyl)-2-propan-2-ylpentanenitrile hydrochloride IUPAC Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methylpyrrol-2-yl)-5-oxo-3-piperidin-1-yl-2-propan-2-ylpentanenitrile hydrochloride Traditional Name: 5-(4-fluorophenyl)-2-isopropyl-5-keto-4-methyl-2-(1-methylpyrrol-2-yl)-3-piperidino-valeronitrile hydrochloride Formula: C25H33ClFN3O MolecularWeight: 446.000423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)(C1=CC=CN1C)C(C(C)C(=O)C2=CC=C(C=C2)F)N3CCCCC3.Cl

Isomeric SMILES

CC(C)C(C#N)(C1=CC=CN1C)C(C(C)C(=O)C2=CC=C(C=C2)F)N3CCCCC3.Cl

InChI

InChI=1S/C25H32FN3O.ClH/c1-18(2)25(17-27,22-9-8-14-28(22)4)24(29-15-6-5-7-16-29)19(3)23(30)20-10-12-21(26)13-11-20;/h8-14,18-19,24H,5-7,15-16H2,1-4H3;1H