ethyl 5-(4-ethylphenyl)-1-[4-(pentan-3-ylcarbamoyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-ethylphenyl)-1-[4-(pentan-3-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-ethylphenyl)-1-[4-(1-ethylpropylcarbamoyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-(4-ethylphenyl)-1-[4-[oxo-(pentan-3-ylamino)methyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-ethylphenyl)-1-[4-(pentan-3-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-(4-ethylphenyl)-1-[4-(1-ethylpropylcarbamoyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)NC(CC)CC)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)NC(CC)CC)C(=O)OCC

InChI

InChI=1S/C26H31N3O3/c1-5-18-9-11-19(12-10-18)24-17-23(26(31)32-8-4)28-29(24)22-15-13-20(14-16-22)25(30)27-21(6-2)7-3/h9-17,21H,5-8H2,1-4H3,(H,27,30)