3-[2-(4-fluorophenyl)prop-2-enyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride

Systemtic Name: 3-[2-(4-fluorophenyl)prop-2-enyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 3-[2-(4-fluorophenyl)allyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 3-[2-(4-fluorophenyl)prop-2-enyl]-2-methyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 3-[2-(4-fluorophenyl)prop-2-enyl]-2-methyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 3-[2-(4-fluorophenyl)allyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C23H26ClFN2O MolecularWeight: 400.916743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CC(=C)C3=CC=C(C=C3)F)C4CCNCC4.Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CC(=C)C3=CC=C(C=C3)F)C4CCNCC4.Cl

InChI

InChI=1S/C23H25FN2O.ClH/c1-16(17-7-9-19(24)10-8-17)15-23(18-11-13-25-14-12-18)21-6-4-3-5-20(21)22(27)26(23)2;/h3-10,18,25H,1,11-15H2,2H3;1H