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

Systemtic Name: ethyl 4-[3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C37H39N3O3 MolecularWeight: 573.72386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C37H39N3O3/c1-2-43-37(42)30-17-19-32(20-18-30)40-35(27-31-15-9-10-16-34(31)36(40)41)39-25-23-38(24-26-39)22-21-33(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-20,33,35H,2,21-27H2,1H3