ethyl 1-[4-[(4-ethanoylphenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-ethanoylphenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(4-acetylphenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(4-acetylanilino)-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-acetylphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[(4-acetylphenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C22H21N3O4/c1-4-29-22(28)20-13-23-25(14(20)2)19-11-7-17(8-12-19)21(27)24-18-9-5-16(6-10-18)15(3)26/h5-13H,4H2,1-3H3,(H,24,27)