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

Systemtic Name: 4-[(2-cycloheptyloxyphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[[2-(cycloheptoxy)phenyl]methyl]-5-isopropyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(2-cycloheptyloxyphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(2-cycloheptyloxyphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[2-(cycloheptoxy)benzyl]-5-isopropyl-3-pyrazolin-3-one Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)NN1)CC2=CC=CC=C2OC3CCCCCC3

Isomeric SMILES

CC(C)C1=C(C(=O)NN1)CC2=CC=CC=C2OC3CCCCCC3

InChI

InChI=1S/C20H28N2O2/c1-14(2)19-17(20(23)22-21-19)13-15-9-7-8-12-18(15)24-16-10-5-3-4-6-11-16/h7-9,12,14,16H,3-6,10-11,13H2,1-2H3,(H2,21,22,23)