ethyl 6-azanyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-amino-7-[4-(2-fluorophenyl)-1-piperazinyl]-1-methyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 6-amino-7-[4-(2-fluorophenyl)piperazino]-4-keto-1-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H25FN4O3 MolecularWeight: 424.468003

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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=C4F)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=CC=CC=C4F)C

InChI

InChI=1S/C23H25FN4O3/c1-3-31-23(30)16-14-26(2)20-13-21(18(25)12-15(20)22(16)29)28-10-8-27(9-11-28)19-7-5-4-6-17(19)24/h4-7,12-14H,3,8-11,25H2,1-2H3