4-(2,5-dimethylpyrrol-1-yl)-2-methyl-5-(phenylmethyl)-1,2,4-triazol-3-one

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-2-methyl-5-(phenylmethyl)-1,2,4-triazol-3-one Openeye Name: 5-benzyl-4-(2,5-dimethylpyrrol-1-yl)-2-methyl-1,2,4-triazol-3-one CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-2-methyl-5-(phenylmethyl)-1,2,4-triazol-3-one IUPAC Name: 5-benzyl-4-(2,5-dimethylpyrrol-1-yl)-2-methyl-1,2,4-triazol-3-one Traditional Name: 5-benzyl-4-(2,5-dimethylpyrrol-1-yl)-2-methyl-1,2,4-triazol-3-one Formula: C16H18N4O MolecularWeight: 282.34032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1N2C(=NN(C2=O)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(N1N2C(=NN(C2=O)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C16H18N4O/c1-12-9-10-13(2)19(12)20-15(17-18(3)16(20)21)11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3