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

Systemtic Name: ethyl 4-[4-(1H-imidazol-5-ylcarbonyl)piperazin-1-yl]-1-methyl-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(1H-imidazole-5-carbonyl)piperazin-1-yl]-1-methyl-2-oxo-quinoline-3-carboxylate CAS Name: 4-[4-[1H-imidazol-5-yl(oxo)methyl]-1-piperazinyl]-1-methyl-2-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1H-imidazole-5-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate Traditional Name: 4-[4-(1H-imidazole-5-carbonyl)piperazino]-2-keto-1-methyl-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=CN=CN4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)C4=CN=CN4

InChI

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