1-(azepan-1-yl)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one CAS Name: 1-(1-azepanyl)-3-phenyl-2-(1-tetrazolyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one Formula: C16H21N5O MolecularWeight: 299.37084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C=NN=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C=NN=N3

InChI

InChI=1S/C16H21N5O/c22-16(20-10-6-1-2-7-11-20)15(21-13-17-18-19-21)12-14-8-4-3-5-9-14/h3-5,8-9,13,15H,1-2,6-7,10-12H2