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

Systemtic Name: 2-[2-[(4-fluorophenyl)amino]-3-methyl-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]ethanal hydrochloride Openeye Name: 2-[2-(4-fluoroanilino)-3-methyl-1-oxo-3-(4-piperidyl)isoindolin-4-yl]acetaldehyde hydrochloride CAS Name: 2-[2-(4-fluoroanilino)-3-methyl-1-oxo-3-(4-piperidinyl)-4-isoindolyl]acetaldehyde hydrochloride IUPAC Name: 2-[2-(4-fluoroanilino)-3-methyl-1-oxo-3-piperidin-4-ylisoindol-4-yl]acetaldehyde hydrochloride Traditional Name: 2-[2-(4-fluoroanilino)-1-keto-3-methyl-3-(4-piperidyl)isoindolin-4-yl]acetaldehyde hydrochloride Formula: C22H25ClFN3O2 MolecularWeight: 417.904203

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2CC=O)C(=O)N1NC3=CC=C(C=C3)F)C4CCNCC4.Cl

Isomeric SMILES

CC1(C2=C(C=CC=C2CC=O)C(=O)N1NC3=CC=C(C=C3)F)C4CCNCC4.Cl

InChI

InChI=1S/C22H24FN3O2.ClH/c1-22(16-9-12-24-13-10-16)20-15(11-14-27)3-2-4-19(20)21(28)26(22)25-18-7-5-17(23)6-8-18;/h2-8,14,16,24-25H,9-13H2,1H3;1H