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

Systemtic Name: 3-[2-methyl-3-[methyl(phenyl)amino]-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]propanal hydrochloride Openeye Name: 3-[2-methyl-3-(N-methylanilino)-1-oxo-3-(4-piperidyl)isoindolin-4-yl]propanal hydrochloride CAS Name: 3-[2-methyl-3-(N-methylanilino)-1-oxo-3-(4-piperidinyl)-4-isoindolyl]propanal hydrochloride IUPAC Name: 3-[2-methyl-3-(N-methylanilino)-1-oxo-3-piperidin-4-ylisoindol-4-yl]propanal hydrochloride Traditional Name: 3-[1-keto-2-methyl-3-(N-methylanilino)-3-(4-piperidyl)isoindolin-4-yl]propionaldehyde hydrochloride Formula: C24H30ClN3O2 MolecularWeight: 427.9669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2.ClH/c1-26(20-10-4-3-5-11-20)24(19-13-15-25-16-14-19)22-18(9-7-17-28)8-6-12-21(22)23(29)27(24)2;/h3-6,8,10-12,17,19,25H,7,9,13-16H2,1-2H3;1H