1-(azepan-1-yl)-2-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[5-(4-isopropylphenyl)tetrazol-2-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[5-(4-propan-2-ylphenyl)-2-tetrazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-(5-p-cumenyltetrazol-2-yl)ethanone Formula: C18H25N5O MolecularWeight: 327.424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H25N5O/c1-14(2)15-7-9-16(10-8-15)18-19-21-23(20-18)13-17(24)22-11-5-3-4-6-12-22/h7-10,14H,3-6,11-13H2,1-2H3