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

Systemtic Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-1-(3-methoxyphenyl)prop-2-en-1-one Openeye Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-1-(3-methoxyphenyl)prop-2-en-1-one CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-1-(3-methoxyphenyl)-2-propen-1-one IUPAC Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-(3-methoxyphenyl)prop-2-en-1-one Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-1-(3-methoxyphenyl)prop-2-en-1-one Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O4/c1-31-23-9-5-6-19(16-23)24(30)12-10-21-18-29(22-7-3-2-4-8-22)28-27(21)20-11-13-25-26(17-20)33-15-14-32-25/h2-13,16-18H,14-15H2,1H3