2-(4-bromanylpyrazol-1-yl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]butanamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-bromopyrazol-1-yl)butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]butanamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-bromopyrazol-1-yl)butanamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-bromopyrazol-1-yl)butyramide Formula: C16H17BrN6O MolecularWeight: 389.24978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C=N1)CC2=CC=CC=C2)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=NN(C=N1)CC2=CC=CC=C2)N3C=C(C=N3)Br

InChI

InChI=1S/C16H17BrN6O/c1-2-14(23-10-13(17)8-19-23)15(24)20-16-18-11-22(21-16)9-12-6-4-3-5-7-12/h3-8,10-11,14H,2,9H2,1H3,(H,20,21,24)