azepan-1-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone

Systemtic Name: azepan-1-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone Openeye Name: azepan-1-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone CAS Name: 1-azepanyl-[4-(1,2,4-triazol-1-yl)phenyl]methanone IUPAC Name: azepan-1-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone Traditional Name: azepan-1-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone Formula: C15H18N4O MolecularWeight: 270.32962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C15H18N4O/c20-15(18-9-3-1-2-4-10-18)13-5-7-14(8-6-13)19-12-16-11-17-19/h5-8,11-12H,1-4,9-10H2