4-azanyl-3-ethyl-5-(4-fluorophenyl)-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride

Systemtic Name: 4-azanyl-3-ethyl-5-(4-fluorophenyl)-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 4-amino-3-ethyl-5-(4-fluorophenyl)-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 4-amino-3-ethyl-5-(4-fluorophenyl)-2-methyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 4-amino-3-ethyl-5-(4-fluorophenyl)-2-methyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 4-amino-3-ethyl-5-(4-fluorophenyl)-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(=C2N)C3=CC=C(C=C3)F)C(=O)N1C)C4CCNCC4.Cl

Isomeric SMILES

CCC1(C2=C(C=CC(=C2N)C3=CC=C(C=C3)F)C(=O)N1C)C4CCNCC4.Cl

InChI

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