azepan-1-yl-[3-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: azepan-1-yl-[3-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: azepan-1-yl-[3-(tetrazol-1-yl)phenyl]methanone CAS Name: 1-azepanyl-[3-(1-tetrazolyl)phenyl]methanone IUPAC Name: azepan-1-yl-[3-(tetrazol-1-yl)phenyl]methanone Traditional Name: azepan-1-yl-[3-(tetrazol-1-yl)phenyl]methanone Formula: C14H17N5O MolecularWeight: 271.31768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O/c20-14(18-8-3-1-2-4-9-18)12-6-5-7-13(10-12)19-11-15-16-17-19/h5-7,10-11H,1-4,8-9H2