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

Systemtic Name: 2-[2-(diphenylamino)-3-methyl-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]ethanal hydrochloride Openeye Name: 2-[3-methyl-1-oxo-2-(N-phenylanilino)-3-(4-piperidyl)isoindolin-4-yl]acetaldehyde hydrochloride CAS Name: 2-[3-methyl-1-oxo-2-(N-phenylanilino)-3-(4-piperidinyl)-4-isoindolyl]acetaldehyde hydrochloride IUPAC Name: 2-[3-methyl-1-oxo-2-(N-phenylanilino)-3-piperidin-4-ylisoindol-4-yl]acetaldehyde hydrochloride Traditional Name: 2-[1-keto-3-methyl-2-(N-phenylanilino)-3-(4-piperidyl)isoindolin-4-yl]acetaldehyde hydrochloride Formula: C28H30ClN3O2 MolecularWeight: 476.0097

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2CC=O)C(=O)N1N(C3=CC=CC=C3)C4=CC=CC=C4)C5CCNCC5.Cl

Isomeric SMILES

CC1(C2=C(C=CC=C2CC=O)C(=O)N1N(C3=CC=CC=C3)C4=CC=CC=C4)C5CCNCC5.Cl

InChI

InChI=1S/C28H29N3O2.ClH/c1-28(22-15-18-29-19-16-22)26-21(17-20-32)9-8-14-25(26)27(33)31(28)30(23-10-4-2-5-11-23)24-12-6-3-7-13-24;/h2-14,20,22,29H,15-19H2,1H3;1H