3-bromanyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide

Systemtic Name: 3-bromanyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide Openeye Name: 3-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide CAS Name: 3-bromo-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-1H-indole-2-carboxamide IUPAC Name: 3-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide Traditional Name: 3-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide Formula: C20H17BrN6O2 MolecularWeight: 453.29198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3N2)Br)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3N2)Br)N4C=NC=N4

InChI

InChI=1S/C20H17BrN6O2/c1-12(27-11-22-10-23-27)19(28)24-13-6-8-14(9-7-13)25-20(29)18-17(21)15-4-2-3-5-16(15)26-18/h2-12,26H,1H3,(H,24,28)(H,25,29)