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

Systemtic Name: 7-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]-4-methyl-coumarin Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-11-6-18(22)24-17-8-15(4-5-16(11)17)23-10-14(21)9-20-13(3)7-12(2)19-20/h4-8,14,21H,9-10H2,1-3H3/t14-/m0/s1