(diphenylmethyl) 4-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-3-yl]piperazine-1-carboxylate

Systemtic Name: (diphenylmethyl) 4-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-3-yl]piperazine-1-carboxylate Openeye Name: benzhydryl 4-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-3-yl)piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinolin-3-yl]-1-piperazinecarboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 4-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-3-yl)piperazine-1-carboxylate Traditional Name: 4-(2-benzyl-1-keto-3,4-dihydroisoquinolin-3-yl)piperazine-1-carboxylic acid benzhydryl ester Formula: C34H33N3O3 MolecularWeight: 531.64412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2CC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H33N3O3/c38-33-30-19-11-10-18-29(30)24-31(37(33)25-26-12-4-1-5-13-26)35-20-22-36(23-21-35)34(39)40-32(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-19,31-32H,20-25H2