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

Systemtic Name: 4-[2-azanyl-4-[3-(2-chloranyl-5-fluoranyl-pyridin-3-yl)phenyl]-1-methyl-5-oxidanylidene-imidazol-4-yl]-1-methyl-pyrrole-2-carbonitrile Openeye Name: 4-[2-amino-4-[3-(2-chloro-5-fluoro-3-pyridyl)phenyl]-1-methyl-5-oxo-imidazol-4-yl]-1-methyl-pyrrole-2-carbonitrile CAS Name: 4-[2-amino-4-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxo-4-imidazolyl]-1-methyl-2-pyrrolecarbonitrile IUPAC Name: 4-[2-amino-4-[3-(2-chloro-5-fluoropyridin-3-yl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-methylpyrrole-2-carbonitrile Traditional Name: 4-[2-amino-4-[3-(2-chloro-5-fluoro-3-pyridyl)phenyl]-5-keto-1-methyl-2-imidazolin-4-yl]-1-methyl-pyrrole-2-carbonitrile Formula: C21H16ClFN6O MolecularWeight: 422.842743

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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=CC(=CN=C4Cl)F

Isomeric SMILES

CN1C=C(C=C1C#N)C2(C(=O)N(C(=N2)N)C)C3=CC=CC(=C3)C4=CC(=CN=C4Cl)F

InChI

InChI=1S/C21H16ClFN6O/c1-28-11-14(7-16(28)9-24)21(19(30)29(2)20(25)27-21)13-5-3-4-12(6-13)17-8-15(23)10-26-18(17)22/h3-8,10-11H,1-2H3,(H2,25,27)