tert-butyl N-[2-(3-cyano-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl)ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(3-cyano-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(3-cyano-6-methoxy-1-oxo-4-phenyl-2-isoquinolyl)ethyl]carbamate CAS Name: N-[2-(3-cyano-6-methoxy-1-oxo-4-phenyl-2-isoquinolinyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(3-cyano-6-methoxy-1-oxo-4-phenylisoquinolin-2-yl)ethyl]carbamate Traditional Name: N-[2-(3-cyano-1-keto-6-methoxy-4-phenyl-2-isoquinolyl)ethyl]carbamic acid tert-butyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H25N3O4/c1-24(2,3)31-23(29)26-12-13-27-20(15-25)21(16-8-6-5-7-9-16)19-14-17(30-4)10-11-18(19)22(27)28/h5-11,14H,12-13H2,1-4H3,(H,26,29)