2-[[5-(4-chlorophenyl)-4-iodanyl-1-phenyl-pyrazol-3-yl]methyl]-N-cyclopropyl-prop-2-enamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-iodanyl-1-phenyl-pyrazol-3-yl]methyl]-N-cyclopropyl-prop-2-enamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-iodo-1-phenyl-pyrazol-3-yl]methyl]-N-cyclopropyl-prop-2-enamide CAS Name: 2-[[5-(4-chlorophenyl)-4-iodo-1-phenyl-3-pyrazolyl]methyl]-N-cyclopropyl-2-propenamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-iodo-1-phenylpyrazol-3-yl]methyl]-N-cyclopropylprop-2-enamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-iodo-1-phenyl-pyrazol-3-yl]methyl]-N-cyclopropyl-acrylamide Formula: C22H19ClIN3O MolecularWeight: 503.76323

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC1=NN(C(=C1I)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C=C(CC1=NN(C(=C1I)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H19ClIN3O/c1-14(22(28)25-17-11-12-17)13-19-20(24)21(15-7-9-16(23)10-8-15)27(26-19)18-5-3-2-4-6-18/h2-10,17H,1,11-13H2,(H,25,28)