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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C18H21ClN6O2 MolecularWeight: 388.85134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H21ClN6O2/c1-3-4-10-24-15(20-22-23-24)12-27-18(26)16-13(2)21-25(17(16)19)11-14-8-6-5-7-9-14/h5-9H,3-4,10-12H2,1-2H3