4-[[2-ethyl-3-[[(2-methyl-1-oxidanyl-propan-2-yl)amino]methyl]phenyl]amino]-6,7-dimethoxy-quinoline-3-carboxamide

Systemtic Name: 4-[[2-ethyl-3-[[(2-methyl-1-oxidanyl-propan-2-yl)amino]methyl]phenyl]amino]-6,7-dimethoxy-quinoline-3-carboxamide Openeye Name: 4-[2-ethyl-3-[[(2-hydroxy-1,1-dimethyl-ethyl)amino]methyl]anilino]-6,7-dimethoxy-quinoline-3-carboxamide CAS Name: 4-[2-ethyl-3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]anilino]-6,7-dimethoxy-3-quinolinecarboxamide IUPAC Name: 4-[2-ethyl-3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]anilino]-6,7-dimethoxyquinoline-3-carboxamide Traditional Name: 4-[2-ethyl-3-[[(2-hydroxy-1,1-dimethyl-ethyl)amino]methyl]anilino]-6,7-dimethoxy-quinoline-3-carboxamide Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CNC(C)(C)CO

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CNC(C)(C)CO

InChI

InChI=1S/C25H32N4O4/c1-6-16-15(12-28-25(2,3)14-30)8-7-9-19(16)29-23-17-10-21(32-4)22(33-5)11-20(17)27-13-18(23)24(26)31/h7-11,13,28,30H,6,12,14H2,1-5H3,(H2,26,31)(H,27,29)