6-[2-(1-oxidanylcyclohexyl)ethynyl]-3-(4-pyridin-2-yl-1,2,3-triazol-1-yl)chromen-2-one

Systemtic Name: 6-[2-(1-oxidanylcyclohexyl)ethynyl]-3-(4-pyridin-2-yl-1,2,3-triazol-1-yl)chromen-2-one Openeye Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-3-[4-(2-pyridyl)triazol-1-yl]chromen-2-one CAS Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-3-[4-(2-pyridinyl)-1-triazolyl]-1-benzopyran-2-one IUPAC Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-3-(4-pyridin-2-yltriazol-1-yl)chromen-2-one Traditional Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-3-[4-(2-pyridyl)triazol-1-yl]coumarin Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC3=C(C=C2)OC(=O)C(=C3)N4C=C(N=N4)C5=CC=CC=N5)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC3=C(C=C2)OC(=O)C(=C3)N4C=C(N=N4)C5=CC=CC=N5)O

InChI

InChI=1S/C24H20N4O3/c29-23-21(28-16-20(26-27-28)19-6-2-5-13-25-19)15-18-14-17(7-8-22(18)31-23)9-12-24(30)10-3-1-4-11-24/h2,5-8,13-16,30H,1,3-4,10-11H2