5-pentyl-2-(4-phenoxyphenyl)-1H-pyrazol-3-one

Systemtic Name: 5-pentyl-2-(4-phenoxyphenyl)-1H-pyrazol-3-one Openeye Name: 5-pentyl-2-(4-phenoxyphenyl)-1H-pyrazol-3-one CAS Name: 5-pentyl-2-(4-phenoxyphenyl)-1H-pyrazol-3-one IUPAC Name: 5-pentyl-2-(4-phenoxyphenyl)-1H-pyrazol-3-one Traditional Name: 5-amyl-2-(4-phenoxyphenyl)-3-pyrazolin-3-one Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=O)N(N1)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCCC1=CC(=O)N(N1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2/c1-2-3-5-8-16-15-20(23)22(21-16)17-11-13-19(14-12-17)24-18-9-6-4-7-10-18/h4,6-7,9-15,21H,2-3,5,8H2,1H3