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

Systemtic Name: tert-butyl N-[[6-ethanoyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(6-acetyl-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]carbamate CAS Name: N-[[6-acetyl-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-acetyl-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(6-acetyl-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/c1-17(2)16-29-23(15-28-26(32)33-27(4,5)6)24(19-10-8-7-9-11-19)22-14-20(18(3)30)12-13-21(22)25(29)31/h7-14,17H,15-16H2,1-6H3,(H,28,32)