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

Systemtic Name: tert-butyl N-[[6-(4-cyano-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-(4-cyanothiazol-2-yl)-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-(4-cyano-2-thiazolyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(4-cyano-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-(4-cyanothiazol-2-yl)-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=CS3)C#N)C4=CC=CC=C4)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=CS3)C#N)C4=CC=CC=C4)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C29H30N4O3S/c1-18(2)16-33-24(15-31-28(35)36-29(3,4)5)25(19-9-7-6-8-10-19)23-13-20(11-12-22(23)27(33)34)26-32-21(14-30)17-37-26/h6-13,17-18H,15-16H2,1-5H3,(H,31,35)