6,7-diethoxy-4-[[2-ethyl-3-[[[(2R)-piperidin-2-yl]carbonylamino]methyl]phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[[[(2R)-piperidin-2-yl]carbonylamino]methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[[[(2R)-piperidine-2-carbonyl]amino]methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[[oxo-[(2R)-2-piperidinyl]methyl]amino]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[[[(2R)-piperidine-2-carbonyl]amino]methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[[[(2R)-pipecoloyl]amino]methyl]anilino]quinoline-3-carboxamide Formula: C29H37N5O4 MolecularWeight: 519.63518

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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)CNC(=O)C4CCCCN4

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNC(=O)[C@H]4CCCCN4

InChI

InChI=1S/C29H37N5O4/c1-4-19-18(16-33-29(36)23-11-7-8-13-31-23)10-9-12-22(19)34-27-20-14-25(37-5-2)26(38-6-3)15-24(20)32-17-21(27)28(30)35/h9-10,12,14-15,17,23,31H,4-8,11,13,16H2,1-3H3,(H2,30,35)(H,32,34)(H,33,36)/t23-/m1/s1