1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-3-(6-nitro-1H-benzimidazol-2-yl)quinolin-4-one

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-3-(6-nitro-1H-benzimidazol-2-yl)quinolin-4-one Openeye Name: 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-3-(6-nitro-1H-benzimidazol-2-yl)quinolin-4-one CAS Name: 1-ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-3-(6-nitro-1H-benzimidazol-2-yl)-4-quinolinone IUPAC Name: 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-3-(6-nitro-1H-benzimidazol-2-yl)quinolin-4-one Traditional Name: 1-ethyl-6,8-difluoro-7-(3-methylpiperazino)-3-(6-nitro-1H-benzimidazol-2-yl)-4-quinolone Formula: C23H22F2N6O3 MolecularWeight: 468.455986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H22F2N6O3/c1-3-29-11-15(23-27-17-5-4-13(31(33)34)8-18(17)28-23)22(32)14-9-16(24)21(19(25)20(14)29)30-7-6-26-12(2)10-30/h4-5,8-9,11-12,26H,3,6-7,10H2,1-2H3,(H,27,28)