ethyl 4-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]benzoate Openeye Name: ethyl 4-[6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxo-isoindolin-2-yl]benzoate CAS Name: 4-[5-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3-oxo-1H-isoindol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]benzoate Traditional Name: 4-[6-[4-(3,3-diphenylpropyl)piperazino]-1-keto-isoindolin-2-yl]benzoic acid ethyl ester Formula: C36H37N3O3 MolecularWeight: 559.69728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H37N3O3/c1-2-42-36(41)29-13-16-31(17-14-29)39-26-30-15-18-32(25-34(30)35(39)40)38-23-21-37(22-24-38)20-19-33(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-18,25,33H,2,19-24,26H2,1H3