1-[4-(dimethylaminomethyl)phenyl]-6-fluoranyl-8-methoxy-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoranyl-8-methoxy-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-8-methoxy-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-8-methoxy-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-8-methoxy-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-4-keto-8-methoxy-7-[4-(2-pyrimidyl)piperazino]quinoline-3-carboxylic acid Formula: C28H29FN6O4 MolecularWeight: 532.566063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)OC)N4CCN(CC4)C5=NC=CC=N5)F)C(=O)O

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)OC)N4CCN(CC4)C5=NC=CC=N5)F)C(=O)O

InChI

InChI=1S/C28H29FN6O4/c1-32(2)16-18-5-7-19(8-6-18)35-17-21(27(37)38)25(36)20-15-22(29)24(26(39-3)23(20)35)33-11-13-34(14-12-33)28-30-9-4-10-31-28/h4-10,15,17H,11-14,16H2,1-3H3,(H,37,38)