(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-pyrazol-1-ylbenzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-pyrazol-1-ylbenzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC=C(C=C2)N3C=CC=N3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC=C(C=C2)N3C=CC=N3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O2/c1-15-19(20(22)26(24-15)18-6-3-2-4-7-18)14-28-21(27)16-8-10-17(11-9-16)25-13-5-12-23-25/h2-13H,14H2,1H3