ethyl 1-methyl-2-oxidanylidene-4-[4-(1H-pyrazol-5-ylcarbonyl)piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 1-methyl-2-oxidanylidene-4-[4-(1H-pyrazol-5-ylcarbonyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 1-methyl-2-oxo-4-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-methyl-2-oxo-4-[4-[oxo(1H-pyrazol-5-yl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-2-oxo-4-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 2-keto-1-methyl-4-[4-(1H-pyrazole-5-carbonyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)C4=CC=NN4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)C4=CC=NN4

InChI

InChI=1S/C21H23N5O4/c1-3-30-21(29)17-18(14-6-4-5-7-16(14)24(2)20(17)28)25-10-12-26(13-11-25)19(27)15-8-9-22-23-15/h4-9H,3,10-13H2,1-2H3,(H,22,23)