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

Systemtic Name: ethyl 6-azanyl-4-oxidanylidene-1-(4-phenylphenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 6-amino-4-oxo-1-(4-phenylphenyl)-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 6-amino-4-oxo-1-(4-phenylphenyl)-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-oxo-1-(4-phenylphenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 6-amino-4-keto-1-(4-phenylphenyl)-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C33H31N5O3 MolecularWeight: 545.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H31N5O3/c1-2-41-33(40)27-22-38(25-13-11-24(12-14-25)23-8-4-3-5-9-23)29-21-30(28(34)20-26(29)32(27)39)36-16-18-37(19-17-36)31-10-6-7-15-35-31/h3-15,20-22H,2,16-19,34H2,1H3