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

Systemtic Name: 2-[3-methyl-2-[methyl(phenyl)amino]-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]ethanal hydrochloride Openeye Name: 2-[3-methyl-2-(N-methylanilino)-1-oxo-3-(4-piperidyl)isoindolin-4-yl]acetaldehyde hydrochloride CAS Name: 2-[3-methyl-2-(N-methylanilino)-1-oxo-3-(4-piperidinyl)-4-isoindolyl]acetaldehyde hydrochloride IUPAC Name: 2-[3-methyl-2-(N-methylanilino)-1-oxo-3-piperidin-4-ylisoindol-4-yl]acetaldehyde hydrochloride Traditional Name: 2-[1-keto-3-methyl-2-(N-methylanilino)-3-(4-piperidyl)isoindolin-4-yl]acetaldehyde hydrochloride Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2CC=O)C(=O)N1N(C)C3=CC=CC=C3)C4CCNCC4.Cl

Isomeric SMILES

CC1(C2=C(C=CC=C2CC=O)C(=O)N1N(C)C3=CC=CC=C3)C4CCNCC4.Cl

InChI

InChI=1S/C23H27N3O2.ClH/c1-23(18-11-14-24-15-12-18)21-17(13-16-27)7-6-10-20(21)22(28)26(23)25(2)19-8-4-3-5-9-19;/h3-10,16,18,24H,11-15H2,1-2H3;1H