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

Systemtic Name: 4-[(2-phenoxyphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 5-isopropyl-4-[(2-phenoxyphenyl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 4-[(2-phenoxyphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(2-phenoxyphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 5-isopropyl-4-(2-phenoxybenzyl)-3-pyrazolin-3-one Formula: C19H20N2O2 MolecularWeight: 308.3743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)NN1)CC2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C(=O)NN1)CC2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2/c1-13(2)18-16(19(22)21-20-18)12-14-8-6-7-11-17(14)23-15-9-4-3-5-10-15/h3-11,13H,12H2,1-2H3,(H2,20,21,22)