tert-butyl N-(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbamate

Systemtic Name: tert-butyl N-(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbamate Openeye Name: tert-butyl N-(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)carbamate CAS Name: N-(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)carbamate Traditional Name: N-(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)carbamic acid tert-butyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O3/c1-21(2,3)27-20(26)23-18-17(13-8-6-5-7-9-13)16-12-14(22)10-11-15(16)19(25)24(18)4/h5-12H,1-4H3,(H,23,26)