3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-1-(2-fluoranyl-4-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-1-(2-fluoranyl-4-methoxy-phenyl)prop-2-en-1-one Openeye Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-1-(2-fluoro-4-methoxy-phenyl)prop-2-en-1-one CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-1-(2-fluoro-4-methoxyphenyl)-2-propen-1-one IUPAC Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-1-(2-fluoro-4-methoxy-phenyl)prop-2-en-1-one Formula: C27H21FN2O4 MolecularWeight: 456.465043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)F

InChI

InChI=1S/C27H21FN2O4/c1-32-21-9-10-22(23(28)16-21)24(31)11-7-19-17-30(20-5-3-2-4-6-20)29-27(19)18-8-12-25-26(15-18)34-14-13-33-25/h2-12,15-17H,13-14H2,1H3