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

Systemtic Name: ethyl 3,5-dimethyl-1-[4-(4-phenylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[4-(4-phenylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[oxo-(4-phenylbutylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-(4-phenylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-[4-(4-phenylbutylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H29N3O3/c1-4-31-25(30)23-18(2)27-28(19(23)3)22-15-13-21(14-16-22)24(29)26-17-9-8-12-20-10-6-5-7-11-20/h5-7,10-11,13-16H,4,8-9,12,17H2,1-3H3,(H,26,29)