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

Systemtic Name: ethyl 6-azanyl-1-methyl-4-oxidanylidene-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylate CAS Name: 6-amino-1-methyl-4-oxo-7-[4-(2-pyrazinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 6-amino-4-keto-1-methyl-7-(4-pyrazin-2-ylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=NC=CN=C4)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=NC=CN=C4)C

InChI

InChI=1S/C21H24N6O3/c1-3-30-21(29)15-13-25(2)17-11-18(16(22)10-14(17)20(15)28)26-6-8-27(9-7-26)19-12-23-4-5-24-19/h4-5,10-13H,3,6-9,22H2,1-2H3