1-(azepan-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-(1-azepanyl)-3-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one Formula: C11H18N4O MolecularWeight: 222.28682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C=NC=N2

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C=NC=N2

InChI

InChI=1S/C11H18N4O/c16-11(5-8-15-10-12-9-13-15)14-6-3-1-2-4-7-14/h9-10H,1-8H2