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

Systemtic Name: ethyl 1-[4-(3,3-dimethylbutylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(3,3-dimethylbutylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,3-dimethylbutylcarbamoyl)phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-(3,3-dimethylbutylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCC(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCC(C)(C)C)C

InChI

InChI=1S/C21H29N3O3/c1-7-27-20(26)18-14(2)23-24(15(18)3)17-10-8-16(9-11-17)19(25)22-13-12-21(4,5)6/h8-11H,7,12-13H2,1-6H3,(H,22,25)