N-[(E)-(4-cyanophenyl)methylideneamino]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide

Systemtic Name: N-[(E)-(4-cyanophenyl)methylideneamino]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide Openeye Name: N-[(E)-(4-cyanophenyl)methyleneamino]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: N-[(E)-(4-cyanophenyl)methylideneamino]-1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxamide IUPAC Name: N-[(E)-(4-cyanophenyl)methylideneamino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide Traditional Name: N-[(E)-(4-cyanobenzylidene)amino]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide Formula: C21H17FN4O MolecularWeight: 360.384283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)NN=CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)N/N=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17FN4O/c1-14-11-20(15(2)26(14)19-9-7-18(22)8-10-19)21(27)25-24-13-17-5-3-16(12-23)4-6-17/h3-11,13H,1-2H3,(H,25,27)/b24-13+