6,7-diethoxy-4-[[2-ethyl-3-[[(2-oxidanylcyclohexyl)amino]methyl]phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[[(2-oxidanylcyclohexyl)amino]methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]quinoline-3-carboxamide Formula: C29H38N4O4 MolecularWeight: 506.63642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNC4CCCCC4O

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNC4CCCCC4O

InChI

InChI=1S/C29H38N4O4/c1-4-19-18(16-31-23-11-7-8-13-25(23)34)10-9-12-22(19)33-28-20-14-26(36-5-2)27(37-6-3)15-24(20)32-17-21(28)29(30)35/h9-10,12,14-15,17,23,25,31,34H,4-8,11,13,16H2,1-3H3,(H2,30,35)(H,32,33)