tert-butyl N-[[7-aminocarbonyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[7-aminocarbonyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(7-carbamoyl-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]carbamate CAS Name: N-[[7-carbamoyl-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-carbamoyl-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(7-carbamoyl-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=C(C=C2)C(=O)N)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=C(C=C2)C(=O)N)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C26H31N3O4/c1-16(2)15-29-21(14-28-25(32)33-26(3,4)5)22(17-9-7-6-8-10-17)19-12-11-18(23(27)30)13-20(19)24(29)31/h6-13,16H,14-15H2,1-5H3,(H2,27,30)(H,28,32)