1-(2-chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-(2-chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrazol-5-one Openeye Name: 1-(2-chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazol-5-one CAS Name: 1-(2-chlorophenyl)-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-tetrazolone IUPAC Name: 1-(2-chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazol-5-one Traditional Name: 1-(2-chlorophenyl)-4-[[4-(2-pyrimidyl)piperazino]methyl]tetrazol-5-one Formula: C16H17ClN8O MolecularWeight: 372.81218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)N(N=N2)C3=CC=CC=C3Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CN2C(=O)N(N=N2)C3=CC=CC=C3Cl)C4=NC=CC=N4

InChI

InChI=1S/C16H17ClN8O/c17-13-4-1-2-5-14(13)25-16(26)24(20-21-25)12-22-8-10-23(11-9-22)15-18-6-3-7-19-15/h1-7H,8-12H2