6-azanyl-1-cyclopropyl-5,8-dimethyl-4-oxidanylidene-2-pyridin-3-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-cyclopropyl-5,8-dimethyl-4-oxidanylidene-2-pyridin-3-yl-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-cyclopropyl-5,8-dimethyl-4-oxo-2-(3-pyridyl)quinoline-3-carboxylic acid CAS Name: 6-amino-1-cyclopropyl-5,8-dimethyl-4-oxo-2-(3-pyridinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-cyclopropyl-5,8-dimethyl-4-oxo-2-pyridin-3-ylquinoline-3-carboxylic acid Traditional Name: 6-amino-1-cyclopropyl-4-keto-5,8-dimethyl-2-(3-pyridyl)quinoline-3-carboxylic acid Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N(C(=C(C2=O)C(=O)O)C3=CN=CC=C3)C4CC4)C)N

Isomeric SMILES

CC1=CC(=C(C2=C1N(C(=C(C2=O)C(=O)O)C3=CN=CC=C3)C4CC4)C)N

InChI

InChI=1S/C20H19N3O3/c1-10-8-14(21)11(2)15-17(10)23(13-5-6-13)18(12-4-3-7-22-9-12)16(19(15)24)20(25)26/h3-4,7-9,13H,5-6,21H2,1-2H3,(H,25,26)