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

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Formula: C20H20BrN5O4 MolecularWeight: 474.3079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)Br)OC)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)Br)OC)N3C=NC=N3

InChI

InChI=1S/C20H20BrN5O4/c1-12(26-11-22-10-23-26)19(27)24-14-4-6-15(7-5-14)25-20(28)13-8-16(29-2)18(21)17(9-13)30-3/h4-12H,1-3H3,(H,24,27)(H,25,28)