4-[4-chloranyl-2-(phenylcarbonyl)phenyl]-1H-pyrazole-5-carbonitrile

Systemtic Name: 4-[4-chloranyl-2-(phenylcarbonyl)phenyl]-1H-pyrazole-5-carbonitrile Openeye Name: 4-(2-benzoyl-4-chloro-phenyl)-1H-pyrazole-5-carbonitrile CAS Name: 4-(2-benzoyl-4-chlorophenyl)-1H-pyrazole-5-carbonitrile IUPAC Name: 4-(2-benzoyl-4-chlorophenyl)-1H-pyrazole-5-carbonitrile Traditional Name: 4-(2-benzoyl-4-chloro-phenyl)-1H-pyrazole-5-carbonitrile Formula: C17H10ClN3O MolecularWeight: 307.7338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)C3=C(NN=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)C3=C(NN=C3)C#N

InChI

InChI=1S/C17H10ClN3O/c18-12-6-7-13(15-10-20-21-16(15)9-19)14(8-12)17(22)11-4-2-1-3-5-11/h1-8,10H,(H,20,21)