4-bromanyl-3,5-dimethoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]benzamide Formula: C19H19BrN4O3 MolecularWeight: 431.28316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C19H19BrN4O3/c1-26-16-7-15(8-17(27-2)18(16)20)19(25)22-9-13-3-5-14(6-4-13)10-24-12-21-11-23-24/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)