6-methyl-3-phenyl-4,8-dihydrooxepino[3,4-d][1,2,3]triazole

Systemtic Name: 6-methyl-3-phenyl-4,8-dihydrooxepino[3,4-d][1,2,3]triazole Openeye Name: 6-methyl-3-phenyl-4,8-dihydrooxepino[3,4-d]triazole CAS Name: 6-methyl-3-phenyl-4,8-dihydrooxepino[3,4-d]triazole IUPAC Name: 6-methyl-3-phenyl-4,8-dihydrooxepino[3,4-d]triazole Traditional Name: 6-methyl-3-phenyl-4,8-dihydrooxepino[3,4-d]triazole Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2=C(CO1)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CCC2=C(CO1)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C13H13N3O/c1-10-7-8-12-13(9-17-10)16(15-14-12)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3