4-[[2-(oxan-4-yloxy)phenyl]methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[[2-(oxan-4-yloxy)phenyl]methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 5-isopropyl-4-[(2-tetrahydropyran-4-yloxyphenyl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 4-[[2-(4-oxanyloxy)phenyl]methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[[2-(oxan-4-yloxy)phenyl]methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 5-isopropyl-4-(2-tetrahydropyran-4-yloxybenzyl)-3-pyrazolin-3-one Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)NN1)CC2=CC=CC=C2OC3CCOCC3

Isomeric SMILES

CC(C)C1=C(C(=O)NN1)CC2=CC=CC=C2OC3CCOCC3

InChI

InChI=1S/C18H24N2O3/c1-12(2)17-15(18(21)20-19-17)11-13-5-3-4-6-16(13)23-14-7-9-22-10-8-14/h3-6,12,14H,7-11H2,1-2H3,(H2,19,20,21)