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

Systemtic Name: ethyl 5-(4-chlorophenyl)-1-[4-(3-methylbutylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-1-[4-(isopentylcarbamoyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-1-[4-[(3-methylbutylamino)-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-1-[4-(3-methylbutylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-[4-(isoamylcarbamoyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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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)NCCC(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)NCCC(C)C

InChI

InChI=1S/C24H26ClN3O3/c1-4-31-24(30)21-15-22(17-5-9-19(25)10-6-17)28(27-21)20-11-7-18(8-12-20)23(29)26-14-13-16(2)3/h5-12,15-16H,4,13-14H2,1-3H3,(H,26,29)