tert-butyl N-[[4-(4-chlorophenyl)-6-cyano-1-oxidanylidene-2H-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-(4-chlorophenyl)-6-cyano-1-oxidanylidene-2H-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-(4-chlorophenyl)-6-cyano-1-oxo-2H-isoquinolin-3-yl]methyl]carbamate CAS Name: N-[[4-(4-chlorophenyl)-6-cyano-1-oxo-2H-isoquinolin-3-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(4-chlorophenyl)-6-cyano-1-oxo-2H-isoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-(4-chlorophenyl)-6-cyano-1-keto-2H-isoquinolin-3-yl]methyl]carbamic acid tert-butyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)C#N)C(=O)N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)C#N)C(=O)N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClN3O3/c1-22(2,3)29-21(28)25-12-18-19(14-5-7-15(23)8-6-14)17-10-13(11-24)4-9-16(17)20(27)26-18/h4-10H,12H2,1-3H3,(H,25,28)(H,26,27)