ethyl 3,5-dimethyl-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[oxo-(1-phenylethylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O3/c1-5-29-23(28)21-16(3)25-26(17(21)4)20-13-11-19(12-14-20)22(27)24-15(2)18-9-7-6-8-10-18/h6-15H,5H2,1-4H3,(H,24,27)