3-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]propanal hydrochloride

Systemtic Name: 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]propanal hydrochloride Openeye Name: 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1-oxo-3-(4-piperidyl)isoindolin-4-yl]propanal hydrochloride CAS Name: 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1-oxo-3-(4-piperidinyl)-4-isoindolyl]propanal hydrochloride IUPAC Name: 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1-oxo-3-piperidin-4-ylisoindol-4-yl]propanal hydrochloride Traditional Name: 3-[3-(3,4-dihydro-2H-quinolin-1-yl)-1-keto-2-methyl-3-(4-piperidyl)isoindolin-4-yl]propionaldehyde hydrochloride Formula: C26H32ClN3O2 MolecularWeight: 454.00418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1(C3CCNCC3)N4CCCC5=CC=CC=C54)C(=CC=C2)CCC=O.Cl

Isomeric SMILES

CN1C(=O)C2=C(C1(C3CCNCC3)N4CCCC5=CC=CC=C54)C(=CC=C2)CCC=O.Cl

InChI

InChI=1S/C26H31N3O2.ClH/c1-28-25(31)22-11-4-8-20(10-6-18-30)24(22)26(28,21-13-15-27-16-14-21)29-17-5-9-19-7-2-3-12-23(19)29;/h2-4,7-8,11-12,18,21,27H,5-6,9-10,13-17H2,1H3;1H