N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(3-methylphenoxy)butanamide

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(3-methylphenoxy)butanamide Openeye Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(3-methylphenoxy)butanamide CAS Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(3-methylphenoxy)butanamide IUPAC Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(3-methylphenoxy)butanamide Traditional Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(3-methylphenoxy)butyramide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=NNC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=NNC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N4O4/c1-14-6-4-7-16(12-14)29-11-5-8-19(26)22-21-23-20(24-25-21)15-9-10-17(27-2)18(13-15)28-3/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H2,22,23,24,25,26)