ethyl 4-(3-azanylidene-4-cyano-6,6-dimethyl-8-oxidanylidene-5,7-dihydroisoquinolin-2-yl)benzoate

Systemtic Name: ethyl 4-(3-azanylidene-4-cyano-6,6-dimethyl-8-oxidanylidene-5,7-dihydroisoquinolin-2-yl)benzoate Openeye Name: ethyl 4-(4-cyano-3-imino-6,6-dimethyl-8-oxo-5,7-dihydroisoquinolin-2-yl)benzoate CAS Name: 4-(4-cyano-3-imino-6,6-dimethyl-8-oxo-5,7-dihydroisoquinolin-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-cyano-3-imino-6,6-dimethyl-8-oxo-5,7-dihydroisoquinolin-2-yl)benzoate Traditional Name: 4-(4-cyano-3-imino-8-keto-6,6-dimethyl-5,7-dihydroisoquinolin-2-yl)benzoic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=C3C(=C(C2=N)C#N)CC(CC3=O)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=C3C(=C(C2=N)C#N)CC(CC3=O)(C)C

InChI

InChI=1S/C21H21N3O3/c1-4-27-20(26)13-5-7-14(8-6-13)24-12-17-15(16(11-22)19(24)23)9-21(2,3)10-18(17)25/h5-8,12,23H,4,9-10H2,1-3H3