3-[(E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoyl]chromen-2-one

Systemtic Name: 3-[(E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoyl]chromen-2-one Openeye Name: 3-[(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoyl]chromen-2-one CAS Name: 3-[(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-1-oxoprop-2-enyl]-1-benzopyran-2-one IUPAC Name: 3-[(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoyl]chromen-2-one Traditional Name: 3-[(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]acryloyl]coumarin Formula: C22H14ClFN2O3 MolecularWeight: 408.809563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC3=CC=CC=C3OC2=O)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC3=CC=CC=C3OC2=O)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H14ClFN2O3/c1-13-17(21(23)26(25-13)16-8-6-15(24)7-9-16)10-11-19(27)18-12-14-4-2-3-5-20(14)29-22(18)28/h2-12H,1H3/b11-10+