4-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-methyl-1H-pyrazole-3-carbonitrile

Systemtic Name: 4-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-methyl-1H-pyrazole-3-carbonitrile Openeye Name: 4-(2-benzoyl-4-chloro-phenyl)-5-methyl-1H-pyrazole-3-carbonitrile CAS Name: 4-(2-benzoyl-4-chlorophenyl)-5-methyl-1H-pyrazole-3-carbonitrile IUPAC Name: 4-(2-benzoyl-4-chlorophenyl)-5-methyl-1H-pyrazole-3-carbonitrile Traditional Name: 4-(2-benzoyl-4-chloro-phenyl)-5-methyl-1H-pyrazole-3-carbonitrile Formula: C18H12ClN3O MolecularWeight: 321.76038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C#N)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1)C#N)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H12ClN3O/c1-11-17(16(10-20)22-21-11)14-8-7-13(19)9-15(14)18(23)12-5-3-2-4-6-12/h2-9H,1H3,(H,21,22)