4-[[3-[[(1-azanyl-2,3-dihydroinden-1-yl)carbonylamino]methyl]-2-ethyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide

Systemtic Name: 4-[[3-[[(1-azanyl-2,3-dihydroinden-1-yl)carbonylamino]methyl]-2-ethyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide Openeye Name: 4-[3-[[(1-aminoindane-1-carbonyl)amino]methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide CAS Name: 4-[3-[[[(1-amino-2,3-dihydroinden-1-yl)-oxomethyl]amino]methyl]-2-ethylanilino]-6,7-diethoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-[[(1-amino-2,3-dihydroindene-1-carbonyl)amino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide Traditional Name: 4-[3-[[(1-aminoindane-1-carbonyl)amino]methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide Formula: C33H37N5O4 MolecularWeight: 567.67798

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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)C4(CCC5=CC=CC=C54)N

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNC(=O)C4(CCC5=CC=CC=C54)N

InChI

InChI=1S/C33H37N5O4/c1-4-22-21(18-37-32(40)33(35)15-14-20-10-7-8-12-25(20)33)11-9-13-26(22)38-30-23-16-28(41-5-2)29(42-6-3)17-27(23)36-19-24(30)31(34)39/h7-13,16-17,19H,4-6,14-15,18,35H2,1-3H3,(H2,34,39)(H,36,38)(H,37,40)