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

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[(2-oxidanylpropylamino)methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[(2-hydroxypropylamino)methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[(2-hydroxypropylamino)methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[(2-hydroxypropylamino)methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[(2-hydroxypropylamino)methyl]anilino]quinoline-3-carboxamide Formula: C26H34N4O4 MolecularWeight: 466.57256

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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)CNCC(C)O

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4/c1-5-18-17(14-28-13-16(4)31)9-8-10-21(18)30-25-19-11-23(33-6-2)24(34-7-3)12-22(19)29-15-20(25)26(27)32/h8-12,15-16,28,31H,5-7,13-14H2,1-4H3,(H2,27,32)(H,29,30)