methyl 4-[7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]benzoate

Systemtic Name: methyl 4-[7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: methyl 4-[7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxo-3,4-dihydroisoquinolin-2-yl]benzoate CAS Name: 4-[7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxo-3,4-dihydroisoquinolin-2-yl]benzoate Traditional Name: 4-[7-[4-(3,3-diphenylpropyl)piperazino]-1-keto-3,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester Formula: C36H37N3O3 MolecularWeight: 559.69728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CCC3=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)N2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H37N3O3/c1-42-36(41)30-13-15-31(16-14-30)39-21-18-29-12-17-32(26-34(29)35(39)40)38-24-22-37(23-25-38)20-19-33(27-8-4-2-5-9-27)28-10-6-3-7-11-28/h2-17,26,33H,18-25H2,1H3