2-methyl-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-methyl-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]butan-1-one Openeye Name: 2-methyl-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-1-one CAS Name: 2-methyl-1-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-methyl-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-1-one Traditional Name: 2-methyl-1-[4-(1-phenyltetrazol-5-yl)piperazino]butan-1-one Formula: C16H22N6O MolecularWeight: 314.38548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCC(C)C(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H22N6O/c1-3-13(2)15(23)20-9-11-21(12-10-20)16-17-18-19-22(16)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3