1-(azepan-1-yl)-2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[5-(4-bromophenyl)tetrazol-2-yl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[5-(4-bromophenyl)-2-tetrazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[5-(4-bromophenyl)tetrazol-2-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[5-(4-bromophenyl)tetrazol-2-yl]propan-1-one Formula: C16H20BrN5O MolecularWeight: 378.2669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2N=C(N=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)N1CCCCCC1)N2N=C(N=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H20BrN5O/c1-12(16(23)21-10-4-2-3-5-11-21)22-19-15(18-20-22)13-6-8-14(17)9-7-13/h6-9,12H,2-5,10-11H2,1H3