1-tert-butyl-N-[4-(2-cyanoethyl)phenyl]-5-[(2-fluorophenyl)carbonylamino]-4-methyl-pyrazole-3-carboxamide

Systemtic Name: 1-tert-butyl-N-[4-(2-cyanoethyl)phenyl]-5-[(2-fluorophenyl)carbonylamino]-4-methyl-pyrazole-3-carboxamide Openeye Name: 1-tert-butyl-N-[4-(2-cyanoethyl)phenyl]-5-[(2-fluorobenzoyl)amino]-4-methyl-pyrazole-3-carboxamide CAS Name: 1-tert-butyl-N-[4-(2-cyanoethyl)phenyl]-5-[[(2-fluorophenyl)-oxomethyl]amino]-4-methyl-3-pyrazolecarboxamide IUPAC Name: 1-tert-butyl-N-[4-(2-cyanoethyl)phenyl]-5-[(2-fluorobenzoyl)amino]-4-methylpyrazole-3-carboxamide Traditional Name: 1-tert-butyl-N-[4-(2-cyanoethyl)phenyl]-5-[(2-fluorobenzoyl)amino]-4-methyl-pyrazole-3-carboxamide Formula: C25H26FN5O2 MolecularWeight: 447.504643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NC2=CC=C(C=C2)CCC#N)C(C)(C)C)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(N(N=C1C(=O)NC2=CC=C(C=C2)CCC#N)C(C)(C)C)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H26FN5O2/c1-16-21(24(33)28-18-13-11-17(12-14-18)8-7-15-27)30-31(25(2,3)4)22(16)29-23(32)19-9-5-6-10-20(19)26/h5-6,9-14H,7-8H2,1-4H3,(H,28,33)(H,29,32)