2-(cyclopropylmethyl)-5-methyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one

Systemtic Name: 2-(cyclopropylmethyl)-5-methyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one Openeye Name: 4-(4-benzyloxyphenyl)-2-(cyclopropylmethyl)-5-methyl-1,2,4-triazol-3-one CAS Name: 2-(cyclopropylmethyl)-5-methyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one IUPAC Name: 2-(cyclopropylmethyl)-5-methyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one Traditional Name: 4-(4-benzoxyphenyl)-2-(cyclopropylmethyl)-5-methyl-1,2,4-triazol-3-one Formula: C20H21N3O2 MolecularWeight: 335.39964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)CC4CC4

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)CC4CC4

InChI

InChI=1S/C20H21N3O2/c1-15-21-22(13-16-7-8-16)20(24)23(15)18-9-11-19(12-10-18)25-14-17-5-3-2-4-6-17/h2-6,9-12,16H,7-8,13-14H2,1H3