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

Systemtic Name: ethyl 6-azanyl-1-methyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 6-amino-1-methyl-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 6-amino-4-keto-1-methyl-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-3-30-22(29)16-14-25(2)18-13-19(17(23)12-15(18)21(16)28)26-8-10-27(11-9-26)20-6-4-5-7-24-20/h4-7,12-14H,3,8-11,23H2,1-2H3