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

Systemtic Name: methyl 4-[3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: methyl 4-[3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxo-3,4-dihydroisoquinolin-2-yl]benzoate CAS Name: 4-[3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxo-3,4-dihydroisoquinolin-2-yl]benzoate Traditional Name: 4-[3-[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)N2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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