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

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

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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(C(C)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O5/c1-5-17-16(13-31-24(15(4)33)27(29)35)9-8-10-20(17)32-25-18-11-22(36-6-2)23(37-7-3)12-21(18)30-14-19(25)26(28)34/h8-12,14-15,24,31,33H,5-7,13H2,1-4H3,(H2,28,34)(H2,29,35)(H,30,32)