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

Systemtic Name: N-[4-(2-cyanoethyl)phenyl]-5-[(2-fluorophenyl)carbonylamino]-4-methyl-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[4-(2-cyanoethyl)phenyl]-5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[4-(2-cyanoethyl)phenyl]-5-[[(2-fluorophenyl)-oxomethyl]amino]-4-methyl-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(2-cyanoethyl)phenyl]-5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxamide Traditional Name: N-[4-(2-cyanoethyl)phenyl]-5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenyl-pyrazole-3-carboxamide Formula: C27H22FN5O2 MolecularWeight: 467.494283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NC2=CC=C(C=C2)CCC#N)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(N(N=C1C(=O)NC2=CC=C(C=C2)CCC#N)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H22FN5O2/c1-18-24(27(35)30-20-15-13-19(14-16-20)8-7-17-29)32-33(21-9-3-2-4-10-21)25(18)31-26(34)22-11-5-6-12-23(22)28/h2-6,9-16H,7-8H2,1H3,(H,30,35)(H,31,34)