ethyl 3,5-dimethyl-1-[4-(4-methylpentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-(4-methylpentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-dimethylbutylcarbamoyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[(4-methylpentan-2-ylamino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-(4-methylpentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-(1,3-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)NC(C)CC(C)C)C

Isomeric SMILES

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

InChI

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