2-[4-[(5-chloranylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(5-chloranylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(5-chloro-7-pyrazolo[1,5-a]pyrimidinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)methyl]phenyl]benzonitrile Formula: C20H13ClN4 MolecularWeight: 344.79702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CC3=CC(=NC4=CC=NN43)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CC3=CC(=NC4=CC=NN43)Cl

InChI

InChI=1S/C20H13ClN4/c21-19-12-17(25-20(24-19)9-10-23-25)11-14-5-7-15(8-6-14)18-4-2-1-3-16(18)13-22/h1-10,12H,11H2