1-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)heptan-1-one

Systemtic Name: 1-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)heptan-1-one Openeye Name: 1-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)heptan-1-one CAS Name: 1-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)-1-heptanone IUPAC Name: 1-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)heptan-1-one Traditional Name: 1-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)heptan-1-one Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1C(=NC(=N1)OC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(=O)N1C(=NC(=N1)OC)C2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2/c1-3-4-5-9-12-14(20)19-15(17-16(18-19)21-2)13-10-7-6-8-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3