6-azanyl-1,8-dimethyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1,8-dimethyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-1,8-dimethyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-1,8-dimethyl-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1,8-dimethyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-4-keto-1,8-dimethyl-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCN(CC3)C4=CC=CC=N4)N)C(=O)C(=CN2C)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCN(CC3)C4=CC=CC=N4)N)C(=O)C(=CN2C)C(=O)O

InChI

InChI=1S/C21H23N5O3/c1-13-18-14(20(27)15(21(28)29)12-24(18)2)11-16(22)19(13)26-9-7-25(8-10-26)17-5-3-4-6-23-17/h3-6,11-12H,7-10,22H2,1-2H3,(H,28,29)