4-bromanyl-N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]butanamide

Systemtic Name: 4-bromanyl-N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]butanamide Openeye Name: 4-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]butanamide CAS Name: 4-bromo-N-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]methyl]butanamide IUPAC Name: 4-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]butanamide Traditional Name: 4-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]butyramide Formula: C14H18BrN5O MolecularWeight: 352.22962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)CCCBr)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)CCCBr)C

InChI

InChI=1S/C14H18BrN5O/c1-10-5-6-12(8-11(10)2)20-13(17-18-19-20)9-16-14(21)4-3-7-15/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,21)