6-azanyl-1-tert-butyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-tert-butyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-1-tert-butyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-1-tert-butyl-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-tert-butyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-1-tert-butyl-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)N)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)N)C(=O)O

InChI

InChI=1S/C23H27N5O3/c1-23(2,3)28-14-16(22(30)31)21(29)15-12-17(24)19(13-18(15)28)26-8-10-27(11-9-26)20-6-4-5-7-25-20/h4-7,12-14H,8-11,24H2,1-3H3,(H,30,31)