4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(4-methylpiperazin-1-yl)-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(4-methylpiperazin-1-yl)-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-7-(4-methylpiperazin-1-yl)-6-nitro-quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-7-(4-methyl-1-piperazinyl)-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-7-(4-methylpiperazin-1-yl)-6-nitroquinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-7-(4-methylpiperazino)-6-nitro-quinoline-3-carbonitrile Formula: C21H18ClFN6O2 MolecularWeight: 440.858023

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4)F)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4)F)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClFN6O2/c1-27-4-6-28(7-5-27)19-10-18-15(9-20(19)29(30)31)21(13(11-24)12-25-18)26-14-2-3-17(23)16(22)8-14/h2-3,8-10,12H,4-7H2,1H3,(H,25,26)