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

Systemtic Name: 4-phenyl-1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 4-phenyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butan-1-one CAS Name: 4-phenyl-1-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-phenyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 4-phenyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazino]butan-1-one Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NN=NN2C3=CC=CC=C3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=NN=NN2C3=CC=CC=C3)C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O/c29-22(13-7-10-19-8-3-1-4-9-19)27-16-14-26(15-17-27)18-21-23-24-25-28(21)20-11-5-2-6-12-20/h1-6,8-9,11-12H,7,10,13-18H2