butanedioic acid; 5-fluoranyl-8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline

Systemtic Name: butanedioic acid; 5-fluoranyl-8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline Openeye Name: 5-fluoro-8-[4-[4-(6-methoxy-8-quinolyl)piperazin-1-yl]-1-piperidyl]quinoline; succinic acid CAS Name: butanedioic acid; 5-fluoro-8-[4-[4-(6-methoxy-8-quinolinyl)-1-piperazinyl]-1-piperidinyl]quinoline IUPAC Name: butanedioic acid; 5-fluoro-8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline Traditional Name: 5-fluoro-8-[4-[4-(6-methoxy-8-quinolyl)piperazino]piperidino]quinoline; succinic acid Formula: C40H48FN5O13 MolecularWeight: 825.833223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=CC=N2)N3CCN(CC3)C4CCN(CC4)C5=C6C(=C(C=C5)F)C=CC=N6.C(CC(=O)O)C(=O)O.C(CC(=O)O)C(=O)O.C(CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C2C(=C1)C=CC=N2)N3CCN(CC3)C4CCN(CC4)C5=C6C(=C(C=C5)F)C=CC=N6.C(CC(=O)O)C(=O)O.C(CC(=O)O)C(=O)O.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C28H30FN5O.3C4H6O4/c1-35-22-18-20-4-2-10-30-27(20)26(19-22)34-16-14-32(15-17-34)21-8-12-33(13-9-21)25-7-6-24(29)23-5-3-11-31-28(23)25;3*5-3(6)1-2-4(7)8/h2-7,10-11,18-19,21H,8-9,12-17H2,1H3;3*1-2H2,(H,5,6)(H,7,8)