1-cyclohexyl-6-phenylmethoxy-4-[2-(1,2,3,4-tetrazol-1-yl)ethanoyl]-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-6-phenylmethoxy-4-[2-(1,2,3,4-tetrazol-1-yl)ethanoyl]-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-cyclohexyl-4-[2-(tetrazol-1-yl)acetyl]-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[1-oxo-2-(1-tetrazolyl)ethyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-6-phenylmethoxy-4-[2-(tetrazol-1-yl)acetyl]-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-cyclohexyl-4-[2-(tetrazol-1-yl)acetyl]-1,4-diazepan-2-one Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CN3C=NN=N3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CN3C=NN=N3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O3/c28-20(14-26-16-22-23-24-26)25-11-19(30-15-17-7-3-1-4-8-17)12-27(21(29)13-25)18-9-5-2-6-10-18/h1,3-4,7-8,16,18-19H,2,5-6,9-15H2