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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-(cyclopropylcarbonylamino)benzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate CAS Name: 4-[[cyclopropyl(oxo)methyl]amino]benzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate Traditional Name: 4-(cyclopropanecarbonylamino)benzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O3/c1-14-19(20(23)26(25-14)18-5-3-2-4-6-18)13-29-22(28)16-9-11-17(12-10-16)24-21(27)15-7-8-15/h2-6,9-12,15H,7-8,13H2,1H3,(H,24,27)