6,7-diethoxy-4-[[2-ethyl-3-[[1-(methylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[[1-(methylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[[2-hydroxy-1-(methylcarbamoyl)propyl]amino]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[[3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[[2-hydroxy-1-(methylcarbamoyl)propyl]amino]anilino]quinoline-3-carboxamide Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC(C(C)O)C(=O)NC)NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N

Isomeric SMILES

CCC1=C(C=CC=C1NC(C(C)O)C(=O)NC)NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N

InChI

InChI=1S/C27H35N5O5/c1-6-16-19(31-24(15(4)33)27(35)29-5)10-9-11-20(16)32-25-17-12-22(36-7-2)23(37-8-3)13-21(17)30-14-18(25)26(28)34/h9-15,24,31,33H,6-8H2,1-5H3,(H2,28,34)(H,29,35)(H,30,32)