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

Systemtic Name: 3-ethyl-4-[(4-fluorophenyl)amino]-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 3-ethyl-4-(4-fluoroanilino)-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 3-ethyl-4-(4-fluoroanilino)-2-methyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 3-ethyl-4-(4-fluoroanilino)-2-methyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 3-ethyl-4-(4-fluoroanilino)-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C22H27ClFN3O MolecularWeight: 403.920683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC=C2NC3=CC=C(C=C3)F)C(=O)N1C)C4CCNCC4.Cl

Isomeric SMILES

CCC1(C2=C(C=CC=C2NC3=CC=C(C=C3)F)C(=O)N1C)C4CCNCC4.Cl

InChI

InChI=1S/C22H26FN3O.ClH/c1-3-22(15-11-13-24-14-12-15)20-18(21(27)26(22)2)5-4-6-19(20)25-17-9-7-16(23)8-10-17;/h4-10,15,24-25H,3,11-14H2,1-2H3;1H