1-[3-(phenylmethyl)phenyl]-3-(3H-1,2,4-triazol-3-yl)propane-1,3-dione

Systemtic Name: 1-[3-(phenylmethyl)phenyl]-3-(3H-1,2,4-triazol-3-yl)propane-1,3-dione Openeye Name: 1-(3-benzylphenyl)-3-(3H-1,2,4-triazol-3-yl)propane-1,3-dione CAS Name: 1-[3-(phenylmethyl)phenyl]-3-(3H-1,2,4-triazol-3-yl)propane-1,3-dione IUPAC Name: 1-(3-benzylphenyl)-3-(3H-1,2,4-triazol-3-yl)propane-1,3-dione Traditional Name: 1-(3-benzylphenyl)-3-(3H-1,2,4-triazol-3-yl)propane-1,3-dione Formula: C18H15N3O2 MolecularWeight: 305.3306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)CC(=O)C3N=CN=N3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)CC(=O)C3N=CN=N3

InChI

InChI=1S/C18H15N3O2/c22-16(11-17(23)18-19-12-20-21-18)15-8-4-7-14(10-15)9-13-5-2-1-3-6-13/h1-8,10,12,18H,9,11H2