6-azanyl-4-oxidanylidene-1-[1-(phenylmethyl)piperidin-4-yl]-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-4-oxidanylidene-1-[1-(phenylmethyl)piperidin-4-yl]-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-1-(1-benzyl-4-piperidyl)-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-4-oxo-1-[1-(phenylmethyl)-4-piperidinyl]-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-(1-benzylpiperidin-4-yl)-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-1-(1-benzyl-4-piperidyl)-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C31H34N6O3 MolecularWeight: 538.64006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CC=CC=N5)N)C(=O)O)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CC=CC=N5)N)C(=O)O)CC6=CC=CC=C6

InChI

InChI=1S/C31H34N6O3/c32-26-18-24-27(19-28(26)35-14-16-36(17-15-35)29-8-4-5-11-33-29)37(21-25(30(24)38)31(39)40)23-9-12-34(13-10-23)20-22-6-2-1-3-7-22/h1-8,11,18-19,21,23H,9-10,12-17,20,32H2,(H,39,40)