4-[2-azanyl-4-[3-(2-fluoranylpyridin-3-yl)phenyl]-1-methyl-5-oxidanylidene-imidazol-4-yl]-1-methyl-pyrrole-2-carbonitrile

Systemtic Name: 4-[2-azanyl-4-[3-(2-fluoranylpyridin-3-yl)phenyl]-1-methyl-5-oxidanylidene-imidazol-4-yl]-1-methyl-pyrrole-2-carbonitrile Openeye Name: 4-[2-amino-4-[3-(2-fluoro-3-pyridyl)phenyl]-1-methyl-5-oxo-imidazol-4-yl]-1-methyl-pyrrole-2-carbonitrile CAS Name: 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxo-4-imidazolyl]-1-methyl-2-pyrrolecarbonitrile IUPAC Name: 4-[2-amino-4-[3-(2-fluoropyridin-3-yl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-methylpyrrole-2-carbonitrile Traditional Name: 4-[2-amino-4-[3-(2-fluoro-3-pyridyl)phenyl]-5-keto-1-methyl-2-imidazolin-4-yl]-1-methyl-pyrrole-2-carbonitrile Formula: C21H17FN6O MolecularWeight: 388.397683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C#N)C2(C(=O)N(C(=N2)N)C)C3=CC=CC(=C3)C4=C(N=CC=C4)F

Isomeric SMILES

CN1C=C(C=C1C#N)C2(C(=O)N(C(=N2)N)C)C3=CC=CC(=C3)C4=C(N=CC=C4)F

InChI

InChI=1S/C21H17FN6O/c1-27-12-15(10-16(27)11-23)21(19(29)28(2)20(24)26-21)14-6-3-5-13(9-14)17-7-4-8-25-18(17)22/h3-10,12H,1-2H3,(H2,24,26)