6-bromanyl-5-methoxy-3,4-dimethyl-7-(1-methyl-5-propan-2-yl-pyrazol-3-yl)chromen-2-one

Systemtic Name: 6-bromanyl-5-methoxy-3,4-dimethyl-7-(1-methyl-5-propan-2-yl-pyrazol-3-yl)chromen-2-one Openeye Name: 6-bromo-7-(5-isopropyl-1-methyl-pyrazol-3-yl)-5-methoxy-3,4-dimethyl-chromen-2-one CAS Name: 6-bromo-5-methoxy-3,4-dimethyl-7-(1-methyl-5-propan-2-yl-3-pyrazolyl)-1-benzopyran-2-one IUPAC Name: 6-bromo-5-methoxy-3,4-dimethyl-7-(1-methyl-5-propan-2-ylpyrazol-3-yl)chromen-2-one Traditional Name: 6-bromo-7-(5-isopropyl-1-methyl-pyrazol-3-yl)-5-methoxy-3,4-dimethyl-coumarin Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C(=C(C(=C2)C3=NN(C(=C3)C(C)C)C)Br)OC)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C(=C(C(=C2)C3=NN(C(=C3)C(C)C)C)Br)OC)C

InChI

InChI=1S/C19H21BrN2O3/c1-9(2)14-8-13(21-22(14)5)12-7-15-16(18(24-6)17(12)20)10(3)11(4)19(23)25-15/h7-9H,1-6H3