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

Systemtic Name: ethyl 4-[7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C37H39N3O3 MolecularWeight: 573.72386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

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