2-(1-cyano-4-methyl-5-oxidanylidene-4-propan-2-yl-imidazol-2-yl)quinoline-3-carboxylic acid

Systemtic Name: 2-(1-cyano-4-methyl-5-oxidanylidene-4-propan-2-yl-imidazol-2-yl)quinoline-3-carboxylic acid Openeye Name: 2-(1-cyano-4-isopropyl-4-methyl-5-oxo-imidazol-2-yl)quinoline-3-carboxylic acid CAS Name: 2-(1-cyano-4-methyl-5-oxo-4-propan-2-yl-2-imidazolyl)-3-quinolinecarboxylic acid IUPAC Name: 2-(1-cyano-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)quinoline-3-carboxylic acid Traditional Name: 2-(1-cyano-4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)quinoline-3-carboxylic acid Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)N(C(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C#N)C

Isomeric SMILES

CC(C)C1(C(=O)N(C(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C#N)C

InChI

InChI=1S/C18H16N4O3/c1-10(2)18(3)17(25)22(9-19)15(21-18)14-12(16(23)24)8-11-6-4-5-7-13(11)20-14/h4-8,10H,1-3H3,(H,23,24)