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

Systemtic Name: 4-[[3-[[[(2S)-azetidin-2-yl]carbonylamino]methyl]-2-ethyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide Openeye Name: 4-[3-[[[(2S)-azetidine-2-carbonyl]amino]methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide CAS Name: 4-[3-[[[[(2S)-2-azetidinyl]-oxomethyl]amino]methyl]-2-ethylanilino]-6,7-diethoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-[[[(2S)-azetidine-2-carbonyl]amino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide Traditional Name: 4-[3-[[[(2S)-azetidine-2-carbonyl]amino]methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide Formula: C27H33N5O4 MolecularWeight: 491.58202

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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)C4CCN4

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNC(=O)[C@@H]4CCN4

InChI

InChI=1S/C27H33N5O4/c1-4-17-16(14-31-27(34)21-10-11-29-21)8-7-9-20(17)32-25-18-12-23(35-5-2)24(36-6-3)13-22(18)30-15-19(25)26(28)33/h7-9,12-13,15,21,29H,4-6,10-11,14H2,1-3H3,(H2,28,33)(H,30,32)(H,31,34)/t21-/m0/s1