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

Systemtic Name: tert-butyl N-[[6-cyano-4-(4-methylphenyl)-1-oxidanylidene-2H-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-cyano-1-oxo-4-(p-tolyl)-2H-isoquinolin-3-yl]methyl]carbamate CAS Name: N-[[6-cyano-4-(4-methylphenyl)-1-oxo-2H-isoquinolin-3-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-cyano-4-(4-methylphenyl)-1-oxo-2H-isoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-cyano-1-keto-4-(p-tolyl)-2H-isoquinolin-3-yl]methyl]carbamic acid tert-butyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NC(=O)C3=C2C=C(C=C3)C#N)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NC(=O)C3=C2C=C(C=C3)C#N)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H23N3O3/c1-14-5-8-16(9-6-14)20-18-11-15(12-24)7-10-17(18)21(27)26-19(20)13-25-22(28)29-23(2,3)4/h5-11H,13H2,1-4H3,(H,25,28)(H,26,27)