2-[5-(azepan-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]-N-(2-imidazol-1-yl-1-phenyl-ethyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]-N-(2-imidazol-1-yl-1-phenyl-ethyl)ethanamide Openeye Name: 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(2-imidazol-1-yl-1-phenyl-ethyl)acetamide CAS Name: 2-[5-(1-azepanylmethyl)-1-tetrazolyl]-N-[2-(1-imidazolyl)-1-phenylethyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(2-imidazol-1-yl-1-phenylethyl)acetamide Traditional Name: 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-(2-imidazol-1-yl-1-phenyl-ethyl)acetamide Formula: C21H28N8O MolecularWeight: 408.50002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=NN=NN2CC(=O)NC(CN3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC2=NN=NN2CC(=O)NC(CN3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N8O/c30-21(16-29-20(24-25-26-29)15-27-11-6-1-2-7-12-27)23-19(14-28-13-10-22-17-28)18-8-4-3-5-9-18/h3-5,8-10,13,17,19H,1-2,6-7,11-12,14-16H2,(H,23,30)