ethyl 1-[4-(3-methylbutylcarbamoyl)phenyl]-5-(2-methylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(3-methylbutylcarbamoyl)phenyl]-5-(2-methylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(isopentylcarbamoyl)phenyl]-5-(o-tolyl)pyrazole-3-carboxylate CAS Name: 1-[4-[(3-methylbutylamino)-oxomethyl]phenyl]-5-(2-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-methylbutylcarbamoyl)phenyl]-5-(2-methylphenyl)pyrazole-3-carboxylate Traditional Name: 1-[4-(isoamylcarbamoyl)phenyl]-5-(o-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=CC=C2C)C3=CC=C(C=C3)C(=O)NCCC(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=CC=C2C)C3=CC=C(C=C3)C(=O)NCCC(C)C

InChI

InChI=1S/C25H29N3O3/c1-5-31-25(30)22-16-23(21-9-7-6-8-18(21)4)28(27-22)20-12-10-19(11-13-20)24(29)26-15-14-17(2)3/h6-13,16-17H,5,14-15H2,1-4H3,(H,26,29)