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

Systemtic Name: 6-chloranyl-1-oxidanylidene-4-phenyl-2-(pyridin-2-ylamino)isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-1-oxo-4-phenyl-2-(2-pyridylamino)isoquinoline-3-carboxylic acid CAS Name: 6-chloro-1-oxo-4-phenyl-2-(2-pyridinylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-1-oxo-4-phenyl-2-(pyridin-2-ylamino)isoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-4-phenyl-2-(2-pyridylamino)isoquinoline-3-carboxylic acid Formula: C21H14ClN3O3 MolecularWeight: 391.80716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=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/C21H14ClN3O3/c22-14-9-10-15-16(12-14)18(13-6-2-1-3-7-13)19(21(27)28)25(20(15)26)24-17-8-4-5-11-23-17/h1-12H,(H,23,24)(H,27,28)