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

Systemtic Name: 3-[3-[(4-fluorophenyl)amino]-2-methyl-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]propanal hydrochloride Openeye Name: 3-[3-(4-fluoroanilino)-2-methyl-1-oxo-3-(4-piperidyl)isoindolin-4-yl]propanal hydrochloride CAS Name: 3-[3-(4-fluoroanilino)-2-methyl-1-oxo-3-(4-piperidinyl)-4-isoindolyl]propanal hydrochloride IUPAC Name: 3-[3-(4-fluoroanilino)-2-methyl-1-oxo-3-piperidin-4-ylisoindol-4-yl]propanal hydrochloride Traditional Name: 3-[3-(4-fluoroanilino)-1-keto-2-methyl-3-(4-piperidyl)isoindolin-4-yl]propionaldehyde hydrochloride Formula: C23H27ClFN3O2 MolecularWeight: 431.930783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1(C3CCNCC3)NC4=CC=C(C=C4)F)C(=CC=C2)CCC=O.Cl

Isomeric SMILES

CN1C(=O)C2=C(C1(C3CCNCC3)NC4=CC=C(C=C4)F)C(=CC=C2)CCC=O.Cl

InChI

InChI=1S/C23H26FN3O2.ClH/c1-27-22(29)20-6-2-4-16(5-3-15-28)21(20)23(27,17-11-13-25-14-12-17)26-19-9-7-18(24)8-10-19;/h2,4,6-10,15,17,25-26H,3,5,11-14H2,1H3;1H