(4R,5R)-5-(4-methoxyphenyl)-3-oxidanyl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one

Systemtic Name: (4R,5R)-5-(4-methoxyphenyl)-3-oxidanyl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Openeye Name: (4R,5R)-3-hydroxy-5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one CAS Name: (4R,5R)-3-hydroxy-5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1-cyclohex-2-enone IUPAC Name: (4R,5R)-3-hydroxy-5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Traditional Name: (4R,5R)-3-hydroxy-5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)C=C(C2N3C=NC=N3)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=O)C=C([C@@H]2N3C=NC=N3)O

InChI

InChI=1S/C15H15N3O3/c1-21-12-4-2-10(3-5-12)13-6-11(19)7-14(20)15(13)18-9-16-8-17-18/h2-5,7-9,13,15,20H,6H2,1H3/t13-,15-/m1/s1