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

Systemtic Name: methyl 4-[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C35H35N3O3 MolecularWeight: 545.6707

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C35H35N3O3/c1-41-35(40)28-12-15-30(16-13-28)38-25-29-14-17-31(24-33(29)34(38)39)37-22-20-36(21-23-37)19-18-32(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-17,24,32H,18-23,25H2,1H3