tert-butyl 3-[[(2-phenylquinolin-4-yl)carbonylamino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[(2-phenylquinolin-4-yl)carbonylamino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[(2-phenylquinoline-4-carbonyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[oxo-[[oxo-(2-phenyl-4-quinolinyl)methyl]hydrazo]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(2-phenylquinoline-4-carbonyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[(2-phenylquinoline-4-carbonyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C31H30N4O4 MolecularWeight: 522.5943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O4/c1-31(2,3)39-30(38)35-19-22-14-8-7-13-21(22)17-27(35)29(37)34-33-28(36)24-18-26(20-11-5-4-6-12-20)32-25-16-10-9-15-23(24)25/h4-16,18,27H,17,19H2,1-3H3,(H,33,36)(H,34,37)