(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H19N5O2 MolecularWeight: 397.42926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N5O2/c1-17-21(14-24)22(28(26-17)20-6-3-2-4-7-20)16-30-23(29)19-10-8-18(9-11-19)15-27-13-5-12-25-27/h2-13H,15-16H2,1H3