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

Systemtic Name: 3-methyl-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]but-2-en-1-one Traditional Name: 3-methyl-1-[4-(1-phenyltetrazol-5-yl)piperazino]but-2-en-1-one Formula: C16H20N6O MolecularWeight: 312.3696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O/c1-13(2)12-15(23)20-8-10-21(11-9-20)16-17-18-19-22(16)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3