methyl 2-[(4-cyano-3-methyl-isoquinolin-1-yl)amino]benzoate

Systemtic Name: methyl 2-[(4-cyano-3-methyl-isoquinolin-1-yl)amino]benzoate Openeye Name: methyl 2-[(4-cyano-3-methyl-1-isoquinolyl)amino]benzoate CAS Name: 2-[(4-cyano-3-methyl-1-isoquinolinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-cyano-3-methylisoquinolin-1-yl)amino]benzoate Traditional Name: 2-[(4-cyano-3-methyl-1-isoquinolyl)amino]benzoic acid methyl ester Formula: C19H15N3O2 MolecularWeight: 317.3413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=N1)NC3=CC=CC=C3C(=O)OC)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=N1)NC3=CC=CC=C3C(=O)OC)C#N

InChI

InChI=1S/C19H15N3O2/c1-12-16(11-20)13-7-3-4-8-14(13)18(21-12)22-17-10-6-5-9-15(17)19(23)24-2/h3-10H,1-2H3,(H,21,22)