6-ethyl-2-methyl-4-oxidanyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 6-ethyl-2-methyl-4-oxidanyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 6-ethyl-4-hydroxy-2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 6-ethyl-4-hydroxy-2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 6-ethyl-4-hydroxy-2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 6-ethyl-4-hydroxy-2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C(=C(OC2CC1=O)C)C3=NN=CN3C4=CC=CC=C4)O

Isomeric SMILES

CCC1CC2=C(C(=C(OC2CC1=O)C)C3=NN=CN3C4=CC=CC=C4)O

InChI

InChI=1S/C20H21N3O3/c1-3-13-9-15-17(10-16(13)24)26-12(2)18(19(15)25)20-22-21-11-23(20)14-7-5-4-6-8-14/h4-8,11,13,17,25H,3,9-10H2,1-2H3