2-(4-fluorophenyl)-3-(2-hydroxyethyl)-1-oxidanylidene-3-(piperidin-4-ylmethyl)isoindole-5-carbonitrile hydrochloride

Systemtic Name: 2-(4-fluorophenyl)-3-(2-hydroxyethyl)-1-oxidanylidene-3-(piperidin-4-ylmethyl)isoindole-5-carbonitrile hydrochloride Openeye Name: 2-(4-fluorophenyl)-3-(2-hydroxyethyl)-1-oxo-3-(4-piperidylmethyl)isoindoline-5-carbonitrile hydrochloride CAS Name: 2-(4-fluorophenyl)-3-(2-hydroxyethyl)-1-oxo-3-(4-piperidinylmethyl)-5-isoindolecarbonitrile hydrochloride IUPAC Name: 2-(4-fluorophenyl)-3-(2-hydroxyethyl)-1-oxo-3-(piperidin-4-ylmethyl)isoindole-5-carbonitrile hydrochloride Traditional Name: 2-(4-fluorophenyl)-3-(2-hydroxyethyl)-1-keto-3-(4-piperidylmethyl)isoindoline-5-carbonitrile hydrochloride Formula: C23H25ClFN3O2 MolecularWeight: 429.914903

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2(C3=C(C=CC(=C3)C#N)C(=O)N2C4=CC=C(C=C4)F)CCO.Cl

Isomeric SMILES

C1CNCCC1CC2(C3=C(C=CC(=C3)C#N)C(=O)N2C4=CC=C(C=C4)F)CCO.Cl

InChI

InChI=1S/C23H24FN3O2.ClH/c24-18-2-4-19(5-3-18)27-22(29)20-6-1-17(15-25)13-21(20)23(27,9-12-28)14-16-7-10-26-11-8-16;/h1-6,13,16,26,28H,7-12,14H2;1H