(diphenylmethyl) 4-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: (diphenylmethyl) 4-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: benzhydryl 4-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinolin-7-yl]-1-piperazinecarboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 4-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazine-1-carboxylate Traditional Name: 4-(2-benzyl-1-keto-3,4-dihydroisoquinolin-7-yl)piperazine-1-carboxylic acid benzhydryl ester Formula: C34H33N3O3 MolecularWeight: 531.64412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6

InChI

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