7-[(2S)-3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[(2S)-3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2S)-3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-3-(4-chloro-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-4-methyl-coumarin Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3C(=C(C(=N3)C)Cl)C)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](CN3C(=C(C(=N3)C)Cl)C)O

InChI

InChI=1S/C18H19ClN2O4/c1-10-6-17(23)25-16-7-14(4-5-15(10)16)24-9-13(22)8-21-12(3)18(19)11(2)20-21/h4-7,13,22H,8-9H2,1-3H3/t13-/m0/s1