4-[[2,4-bis(fluoranyl)phenyl]amino]-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide

Systemtic Name: 4-[[2,4-bis(fluoranyl)phenyl]amino]-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide Openeye Name: 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide CAS Name: 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-methyl-1-piperazinyl)-3-quinolinecarboxamide IUPAC Name: 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide Traditional Name: 4-(2,4-difluoroanilino)-7-ethoxy-6-(4-methylpiperazino)quinoline-3-carboxamide Formula: C23H25F2N5O2 MolecularWeight: 441.473706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=C(C=C(C=C3)F)F)C(=O)N)N4CCN(CC4)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=C(C=C(C=C3)F)F)C(=O)N)N4CCN(CC4)C

InChI

InChI=1S/C23H25F2N5O2/c1-3-32-21-12-19-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-19)23(26)31)28-18-5-4-14(24)10-17(18)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28)