3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]iminomethyl]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]iminomethyl]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]iminomethyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]iminomethyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]iminomethyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]iminomethyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C18H18ClN3O MolecularWeight: 327.80802

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)C=NC2=NNC(=C2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)C=NC2=NNC(=C2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H18ClN3O/c1-18(2)9-12(7-15(23)10-18)11-20-17-8-16(21-22-17)13-3-5-14(19)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,21,22)