1-methyl-6-(morpholin-4-ylmethyl)-5-[2-(1-oxidanylcyclohexyl)ethynyl]-4-oxidanylidene-cinnoline-3-carboxamide

Systemtic Name: 1-methyl-6-(morpholin-4-ylmethyl)-5-[2-(1-oxidanylcyclohexyl)ethynyl]-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: 5-[2-(1-hydroxycyclohexyl)ethynyl]-1-methyl-6-(morpholinomethyl)-4-oxo-cinnoline-3-carboxamide CAS Name: 5-[2-(1-hydroxycyclohexyl)ethynyl]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: 5-[2-(1-hydroxycyclohexyl)ethynyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: 5-[2-(1-hydroxycyclohexyl)ethynyl]-4-keto-1-methyl-6-(morpholinomethyl)cinnoline-3-carboxamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C(C=C2)CN3CCOCC3)C#CC4(CCCCC4)O)C(=O)C(=N1)C(=O)N

Isomeric SMILES

CN1C2=C(C(=C(C=C2)CN3CCOCC3)C#CC4(CCCCC4)O)C(=O)C(=N1)C(=O)N

InChI

InChI=1S/C23H28N4O4/c1-26-18-6-5-16(15-27-11-13-31-14-12-27)17(7-10-23(30)8-3-2-4-9-23)19(18)21(28)20(25-26)22(24)29/h5-6,30H,2-4,8-9,11-15H2,1H3,(H2,24,29)