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

Systemtic Name: tert-butyl N-[[6-chloranyl-4-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-chloro-4-(4-methoxyphenyl)-2-methyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-chloro-4-(4-methoxyphenyl)-2-methyl-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-chloro-4-(4-methoxyphenyl)-2-methyl-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-chloro-1-keto-4-(4-methoxyphenyl)-2-methyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C23H25ClN2O4 MolecularWeight: 428.9086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H25ClN2O4/c1-23(2,3)30-22(28)25-13-19-20(14-6-9-16(29-5)10-7-14)18-12-15(24)8-11-17(18)21(27)26(19)4/h6-12H,13H2,1-5H3,(H,25,28)