2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methylamino]phenyl]-5-pyridin-3-yl-pyrazole-3-carbonitrile

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methylamino]phenyl]-5-pyridin-3-yl-pyrazole-3-carbonitrile Openeye Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methylamino]phenyl]-5-(3-pyridyl)pyrazole-3-carbonitrile CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methylamino]phenyl]-5-(3-pyridinyl)-3-pyrazolecarbonitrile IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methylamino]phenyl]-5-pyridin-3-ylpyrazole-3-carbonitrile Traditional Name: 2-[4-[(2-chloro-4-fluoro-benzyl)amino]phenyl]-5-(3-pyridyl)pyrazole-3-carbonitrile Formula: C22H15ClFN5 MolecularWeight: 403.839403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN(C(=C2)C#N)C3=CC=C(C=C3)NCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NN(C(=C2)C#N)C3=CC=C(C=C3)NCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H15ClFN5/c23-21-10-17(24)4-3-15(21)14-27-18-5-7-19(8-6-18)29-20(12-25)11-22(28-29)16-2-1-9-26-13-16/h1-11,13,27H,14H2