ethyl 2,6-dimethyl-4-[(5-methyl-1-oxidanylidene-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-4-[(5-methyl-1-oxidanylidene-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylate Openeye Name: ethyl 2,6-dimethyl-4-[(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-[(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dimethyl-4-[(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylate Traditional Name: 4-[(1-keto-5-methyl-2H-isoquinolin-6-yl)amino]-2,6-dimethyl-nicotinic acid ethyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1NC2=C(C3=C(C=C2)C(=O)NC=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1NC2=C(C3=C(C=C2)C(=O)NC=C3)C)C)C

InChI

InChI=1S/C20H21N3O3/c1-5-26-20(25)18-13(4)22-11(2)10-17(18)23-16-7-6-15-14(12(16)3)8-9-21-19(15)24/h6-10H,5H2,1-4H3,(H,21,24)(H,22,23)