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

Systemtic Name: 3-bromanyl-4-ethoxy-5-methoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Openeye Name: 3-bromo-4-ethoxy-5-methoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide CAS Name: 3-bromo-4-ethoxy-5-methoxy-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-5-methoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Traditional Name: 3-bromo-4-ethoxy-5-methoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Formula: C21H22BrN5O4 MolecularWeight: 488.33448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)N3C=NC=N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)N3C=NC=N3)OC

InChI

InChI=1S/C21H22BrN5O4/c1-4-31-19-17(22)9-14(10-18(19)30-3)21(29)26-16-7-5-15(6-8-16)25-20(28)13(2)27-12-23-11-24-27/h5-13H,4H2,1-3H3,(H,25,28)(H,26,29)