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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: N-(3-chloro-2-methylphenyl)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C28H21ClN4O3 MolecularWeight: 496.94434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H21ClN4O3/c1-18-23(29)8-5-9-24(18)31-28(34)20(16-30)14-21-17-33(22-6-3-2-4-7-22)32-27(21)19-10-11-25-26(15-19)36-13-12-35-25/h2-11,14-15,17H,12-13H2,1H3,(H,31,34)