1-cyclopropyl-6-ethanoyl-8-methyl-5-(methylamino)-4-oxidanylidene-2-pyridin-3-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-ethanoyl-8-methyl-5-(methylamino)-4-oxidanylidene-2-pyridin-3-yl-quinoline-3-carboxylic acid Openeye Name: 6-acetyl-1-cyclopropyl-8-methyl-5-(methylamino)-4-oxo-2-(3-pyridyl)quinoline-3-carboxylic acid CAS Name: 6-acetyl-1-cyclopropyl-8-methyl-5-(methylamino)-4-oxo-2-(3-pyridinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-acetyl-1-cyclopropyl-8-methyl-5-(methylamino)-4-oxo-2-pyridin-3-ylquinoline-3-carboxylic acid Traditional Name: 6-acetyl-1-cyclopropyl-4-keto-8-methyl-5-(methylamino)-2-(3-pyridyl)quinoline-3-carboxylic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)C)NC)C(=O)C(=C(N2C3CC3)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)C)NC)C(=O)C(=C(N2C3CC3)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C22H21N3O4/c1-11-9-15(12(2)26)18(23-3)16-19(11)25(14-6-7-14)20(13-5-4-8-24-10-13)17(21(16)27)22(28)29/h4-5,8-10,14,23H,6-7H2,1-3H3,(H,28,29)