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

Systemtic Name: 3-[3-(diphenylamino)-2-methyl-1-oxidanylidene-3-piperidin-4-yl-isoindol-4-yl]propanal Openeye Name: 3-[2-methyl-1-oxo-3-(N-phenylanilino)-3-(4-piperidyl)isoindolin-4-yl]propanal CAS Name: 3-[2-methyl-1-oxo-3-(N-phenylanilino)-3-(4-piperidinyl)-4-isoindolyl]propanal IUPAC Name: 3-[2-methyl-1-oxo-3-(N-phenylanilino)-3-piperidin-4-ylisoindol-4-yl]propanal Traditional Name: 3-[1-keto-2-methyl-3-(N-phenylanilino)-3-(4-piperidyl)isoindolin-4-yl]propionaldehyde Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1(C3CCNCC3)N(C4=CC=CC=C4)C5=CC=CC=C5)C(=CC=C2)CCC=O

Isomeric SMILES

CN1C(=O)C2=C(C1(C3CCNCC3)N(C4=CC=CC=C4)C5=CC=CC=C5)C(=CC=C2)CCC=O

InChI

InChI=1S/C29H31N3O2/c1-31-28(34)26-16-8-10-22(11-9-21-33)27(26)29(31,23-17-19-30-20-18-23)32(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-8,10,12-16,21,23,30H,9,11,17-20H2,1H3