3-(3-bromanyl-4-methoxy-phenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]propionamide Formula: C20H21BrN4O2 MolecularWeight: 429.31034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)Br

InChI

InChI=1S/C20H21BrN4O2/c1-27-19-8-6-15(10-18(19)21)7-9-20(26)23-11-16-2-4-17(5-3-16)12-25-14-22-13-24-25/h2-6,8,10,13-14H,7,9,11-12H2,1H3,(H,23,26)