6-chloranyl-4-(4-methylphenyl)-1-oxidanylidene-2-(pyridin-2-ylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-(4-methylphenyl)-1-oxidanylidene-2-(pyridin-2-ylamino)isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-1-oxo-4-(p-tolyl)-2-(2-pyridylamino)isoquinoline-3-carboxylic acid CAS Name: 6-chloro-4-(4-methylphenyl)-1-oxo-2-(2-pyridinylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-4-(4-methylphenyl)-1-oxo-2-(pyridin-2-ylamino)isoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-4-(p-tolyl)-2-(2-pyridylamino)isoquinoline-3-carboxylic acid Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)NC4=CC=CC=N4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)NC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C22H16ClN3O3/c1-13-5-7-14(8-6-13)19-17-12-15(23)9-10-16(17)21(27)26(20(19)22(28)29)25-18-4-2-3-11-24-18/h2-12H,1H3,(H,24,25)(H,28,29)