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

Systemtic Name: 6-azanyl-4-oxidanylidene-1-(4-phenylphenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-4-oxo-1-(4-phenylphenyl)-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-4-oxo-1-(4-phenylphenyl)-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-4-oxo-1-(4-phenylphenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-4-keto-1-(4-phenylphenyl)-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C31H27N5O3 MolecularWeight: 517.57778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)C6=CC=CC=C6)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)C6=CC=CC=C6)N

InChI

InChI=1S/C31H27N5O3/c32-26-18-24-27(19-28(26)34-14-16-35(17-15-34)29-8-4-5-13-33-29)36(20-25(30(24)37)31(38)39)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-13,18-20H,14-17,32H2,(H,38,39)