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

Systemtic Name: 4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide Openeye Name: 4-(3-chloro-2-fluoro-anilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide CAS Name: 4-(3-chloro-2-fluoroanilino)-7-ethoxy-6-(4-methyl-1-piperazinyl)-3-quinolinecarboxamide IUPAC Name: 4-(3-chloro-2-fluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide Traditional Name: 4-(3-chloro-2-fluoro-anilino)-7-ethoxy-6-(4-methylpiperazino)quinoline-3-carboxamide Formula: C23H25ClFN5O2 MolecularWeight: 457.928303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClFN5O2/c1-3-32-20-12-18-14(11-19(20)30-9-7-29(2)8-10-30)22(15(13-27-18)23(26)31)28-17-6-4-5-16(24)21(17)25/h4-6,11-13H,3,7-10H2,1-2H3,(H2,26,31)(H,27,28)