ethyl 5-(4-chlorophenyl)-1-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-1-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-1-[4-(4-pyridylmethylcarbamoyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-1-[4-[oxo-(pyridin-4-ylmethylamino)methyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-1-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-[4-(4-pyridylmethylcarbamoyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C25H21ClN4O3 MolecularWeight: 460.91224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C25H21ClN4O3/c1-2-33-25(32)22-15-23(18-3-7-20(26)8-4-18)30(29-22)21-9-5-19(6-10-21)24(31)28-16-17-11-13-27-14-12-17/h3-15H,2,16H2,1H3,(H,28,31)