ethyl 5-butan-2-yl-1-[4-(heptan-4-ylcarbamoyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butan-2-yl-1-[4-(heptan-4-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(1-propylbutylcarbamoyl)phenyl]-5-sec-butyl-pyrazole-3-carboxylate CAS Name: 5-butan-2-yl-1-[4-[(heptan-4-ylamino)-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butan-2-yl-1-[4-(heptan-4-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-(1-propylbutylcarbamoyl)phenyl]-5-sec-butyl-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)CC

Isomeric SMILES

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

InChI

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