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

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

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O/c1-2-19(17-9-5-3-6-10-17)20(28)25-13-15-26(16-14-25)21-22-23-24-27(21)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3