N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-[2-(sec-butylcarbamoyl)phenyl]pyrazole-3-carboxamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-1-(4-fluorophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-[2-(sec-butylcarbamoyl)phenyl]pyrazole-3-carboxamide Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4O2/c1-3-14(2)23-20(27)17-6-4-5-7-18(17)24-21(28)19-12-13-26(25-19)16-10-8-15(22)9-11-16/h4-14H,3H2,1-2H3,(H,23,27)(H,24,28)