N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxy-5-prop-2-enyl-benzamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxy-5-prop-2-enyl-benzamide Openeye Name: 3-allyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4,5-dimethoxy-benzamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide Traditional Name: 3-allyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4,5-dimethoxy-benzamide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C20H19ClN4O3/c1-4-5-13-8-14(9-18(27-2)19(13)28-3)20(26)24-16-10-15(21)6-7-17(16)25-12-22-11-23-25/h4,6-12H,1,5H2,2-3H3,(H,24,26)