2-(1,2,4-triazol-1-yl)cycloheptan-1-one

Systemtic Name: 2-(1,2,4-triazol-1-yl)cycloheptan-1-one Openeye Name: 2-(1,2,4-triazol-1-yl)cycloheptanone CAS Name: 2-(1,2,4-triazol-1-yl)-1-cycloheptanone IUPAC Name: 2-(1,2,4-triazol-1-yl)cycloheptan-1-one Traditional Name: 2-(1,2,4-triazol-1-yl)cycloheptanone Formula: C9H13N3O MolecularWeight: 179.21902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)N2C=NC=N2

Isomeric SMILES

C1CCC(C(=O)CC1)N2C=NC=N2

InChI

InChI=1S/C9H13N3O/c13-9-5-3-1-2-4-8(9)12-7-10-6-11-12/h6-8H,1-5H2