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

Systemtic Name: 3-phenyl-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]butan-1-one Openeye Name: 3-phenyl-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-1-one CAS Name: 3-phenyl-1-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]-1-butanone IUPAC Name: 3-phenyl-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-1-one Traditional Name: 3-phenyl-1-[4-(1-phenyltetrazol-5-yl)piperazino]butan-1-one Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O/c1-17(18-8-4-2-5-9-18)16-20(28)25-12-14-26(15-13-25)21-22-23-24-27(21)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3