1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carbaldehyde

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carbaldehyde Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carbaldehyde CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxaldehyde IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbaldehyde Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carbaldehyde Formula: C21H18F3N3O2 MolecularWeight: 401.38173

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C=O)C4=C(C=C(C=C4)F)F)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C=O)C4=C(C=C(C=C4)F)F)F

InChI

InChI=1S/C21H18F3N3O2/c1-12-9-26(5-4-25-12)20-8-19-15(7-17(20)24)21(29)13(11-28)10-27(19)18-3-2-14(22)6-16(18)23/h2-3,6-8,10-12,25H,4-5,9H2,1H3