ethyl 5-tert-butyl-1-[4-(heptan-4-ylcarbamoyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-1-[4-(heptan-4-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-1-[4-(1-propylbutylcarbamoyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-tert-butyl-1-[4-[(heptan-4-ylamino)-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-1-[4-(heptan-4-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-1-[4-(1-propylbutylcarbamoyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C24H35N3O3 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OCC)C(C)(C)C

Isomeric SMILES

CCCC(CCC)NC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OCC)C(C)(C)C

InChI

InChI=1S/C24H35N3O3/c1-7-10-18(11-8-2)25-22(28)17-12-14-19(15-13-17)27-21(24(4,5)6)16-20(26-27)23(29)30-9-3/h12-16,18H,7-11H2,1-6H3,(H,25,28)