3-(5-chloranyl-4-methanoyl-3-propan-2-yl-pyrazol-1-yl)benzenecarbonitrile

Systemtic Name: 3-(5-chloranyl-4-methanoyl-3-propan-2-yl-pyrazol-1-yl)benzenecarbonitrile Openeye Name: 3-(5-chloro-4-formyl-3-isopropyl-pyrazol-1-yl)benzonitrile CAS Name: 3-(5-chloro-4-formyl-3-propan-2-yl-1-pyrazolyl)benzonitrile IUPAC Name: 3-(5-chloro-4-formyl-3-propan-2-ylpyrazol-1-yl)benzonitrile Traditional Name: 3-(5-chloro-4-formyl-3-isopropyl-pyrazol-1-yl)benzonitrile Formula: C14H12ClN3O MolecularWeight: 273.71758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1C=O)Cl)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)C1=NN(C(=C1C=O)Cl)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H12ClN3O/c1-9(2)13-12(8-19)14(15)18(17-13)11-5-3-4-10(6-11)7-16/h3-6,8-9H,1-2H3