2-[5-(azepan-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]-1-(4-methyl-3-phenyl-piperazin-1-yl)ethanone

Systemtic Name: 2-[5-(azepan-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]-1-(4-methyl-3-phenyl-piperazin-1-yl)ethanone Openeye Name: 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-(4-methyl-3-phenyl-piperazin-1-yl)ethanone CAS Name: 2-[5-(1-azepanylmethyl)-1-tetrazolyl]-1-(4-methyl-3-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-(4-methyl-3-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-(4-methyl-3-phenyl-piperazino)ethanone Formula: C21H31N7O MolecularWeight: 397.51714

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C2=CC=CC=C2)C(=O)CN3C(=NN=N3)CN4CCCCCC4

Isomeric SMILES

CN1CCN(CC1C2=CC=CC=C2)C(=O)CN3C(=NN=N3)CN4CCCCCC4

InChI

InChI=1S/C21H31N7O/c1-25-13-14-27(15-19(25)18-9-5-4-6-10-18)21(29)17-28-20(22-23-24-28)16-26-11-7-2-3-8-12-26/h4-6,9-10,19H,2-3,7-8,11-17H2,1H3