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

Systemtic Name: (E)-2-cyano-N-cyclohexyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-cyclohexyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-cyclohexyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-cyclohexyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-cyclohexyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C/C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C27H26N4O3/c28-17-20(27(32)29-22-7-3-1-4-8-22)15-21-18-31(23-9-5-2-6-10-23)30-26(21)19-11-12-24-25(16-19)34-14-13-33-24/h2,5-6,9-12,15-16,18,22H,1,3-4,7-8,13-14H2,(H,29,32)/b20-15+