4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-(2-methoxyethoxy)-6-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxamide

Systemtic Name: 4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-(2-methoxyethoxy)-6-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxamide Openeye Name: 4-(2-fluoro-4-methyl-anilino)-6-(4-isopropylpiperazin-1-yl)-7-(2-methoxyethoxy)quinoline-3-carboxamide CAS Name: 4-(2-fluoro-4-methylanilino)-7-(2-methoxyethoxy)-6-(4-propan-2-yl-1-piperazinyl)-3-quinolinecarboxamide IUPAC Name: 4-(2-fluoro-4-methylanilino)-7-(2-methoxyethoxy)-6-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxamide Traditional Name: 4-(2-fluoro-4-methyl-anilino)-6-(4-isopropylpiperazino)-7-(2-methoxyethoxy)quinoline-3-carboxamide Formula: C27H34FN5O3 MolecularWeight: 495.588963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=NC3=CC(=C(C=C32)N4CCN(CC4)C(C)C)OCCOC)C(=O)N)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=NC3=CC(=C(C=C32)N4CCN(CC4)C(C)C)OCCOC)C(=O)N)F

InChI

InChI=1S/C27H34FN5O3/c1-17(2)32-7-9-33(10-8-32)24-14-19-23(15-25(24)36-12-11-35-4)30-16-20(27(29)34)26(19)31-22-6-5-18(3)13-21(22)28/h5-6,13-17H,7-12H2,1-4H3,(H2,29,34)(H,30,31)