3-ethyl-4-[(4-fluorophenyl)amino]-2,5-dimethyl-3-piperidin-4-yl-isoindol-1-one hydrochloride

Systemtic Name: 3-ethyl-4-[(4-fluorophenyl)amino]-2,5-dimethyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 3-ethyl-4-(4-fluoroanilino)-2,5-dimethyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 3-ethyl-4-(4-fluoroanilino)-2,5-dimethyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 3-ethyl-4-(4-fluoroanilino)-2,5-dimethyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 3-ethyl-4-(4-fluoroanilino)-2,5-dimethyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C23H29ClFN3O MolecularWeight: 417.947263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O.ClH/c1-4-23(16-11-13-25-14-12-16)20-19(22(28)27(23)3)10-5-15(2)21(20)26-18-8-6-17(24)7-9-18;/h5-10,16,25-26H,4,11-14H2,1-3H3;1H