ethyl 1-methyl-2-oxidanylidene-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-methyl-2-oxidanylidene-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-methyl-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-methyl-2-oxo-4-[4-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 2-keto-1-methyl-4-(4-pyrazinoylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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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=NC=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-3-31-22(30)18-19(15-6-4-5-7-17(15)25(2)21(18)29)26-10-12-27(13-11-26)20(28)16-14-23-8-9-24-16/h4-9,14H,3,10-13H2,1-2H3