(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C20H17ClN6O2 MolecularWeight: 408.84098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=NN=NN2C3=CC=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=NN=NN2C3=CC=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN6O2/c1-14-18(19(21)26(23-14)12-15-8-4-2-5-9-15)20(28)29-13-17-22-24-25-27(17)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3