tert-butyl N-[[6-aminocarbonyl-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[6-aminocarbonyl-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-carbamoyl-2-isobutyl-1-oxo-4-(p-tolyl)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-carbamoyl-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-carbamoyl-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-carbamoyl-2-isobutyl-1-keto-4-(p-tolyl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C(=O)N)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C(=O)N)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H33N3O4/c1-16(2)15-30-22(14-29-26(33)34-27(4,5)6)23(18-9-7-17(3)8-10-18)21-13-19(24(28)31)11-12-20(21)25(30)32/h7-13,16H,14-15H2,1-6H3,(H2,28,31)(H,29,33)