N-(2-chlorophenyl)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: N-(2-chlorophenyl)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: N-(2-chlorophenyl)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: N-(2-chlorophenyl)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: N-(2-chlorophenyl)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: N-(2-chlorophenyl)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C27H19ClN4O3 MolecularWeight: 482.91776

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H19ClN4O3/c28-22-8-4-5-9-23(22)30-27(33)19(16-29)14-20-17-32(21-6-2-1-3-7-21)31-26(20)18-10-11-24-25(15-18)35-13-12-34-24/h1-11,14-15,17H,12-13H2,(H,30,33)