ethyl 6-nitro-4-oxidanylidene-1-[1-(phenylmethyl)piperidin-4-yl]-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 6-nitro-4-oxidanylidene-1-[1-(phenylmethyl)piperidin-4-yl]-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-(1-benzyl-4-piperidyl)-6-nitro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 6-nitro-4-oxo-1-[1-(phenylmethyl)-4-piperidinyl]-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzylpiperidin-4-yl)-6-nitro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 1-(1-benzyl-4-piperidyl)-4-keto-6-nitro-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C33H36N6O5 MolecularWeight: 596.67614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)C5CCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)C5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C33H36N6O5/c1-2-44-33(41)27-23-38(25-11-14-35(15-12-25)22-24-8-4-3-5-9-24)28-21-29(30(39(42)43)20-26(28)32(27)40)36-16-18-37(19-17-36)31-10-6-7-13-34-31/h3-10,13,20-21,23,25H,2,11-12,14-19,22H2,1H3