tert-butyl 4-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-6-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-6-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-6-yl)piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinolin-6-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(2-benzyl-1-keto-3,4-dihydroisoquinolin-6-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=O)N(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=O)N(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-25(2,3)31-24(30)27-15-13-26(14-16-27)21-9-10-22-20(17-21)11-12-28(23(22)29)18-19-7-5-4-6-8-19/h4-10,17H,11-16,18H2,1-3H3