5-ethoxy-2-[4-[1-(3-pentadecylphenoxy)butylamino]phenyl]-1H-pyrazol-3-one

Systemtic Name: 5-ethoxy-2-[4-[1-(3-pentadecylphenoxy)butylamino]phenyl]-1H-pyrazol-3-one Openeye Name: 5-ethoxy-2-[4-[1-(3-pentadecylphenoxy)butylamino]phenyl]-1H-pyrazol-3-one CAS Name: 5-ethoxy-2-[4-[1-(3-pentadecylphenoxy)butylamino]phenyl]-1H-pyrazol-3-one IUPAC Name: 5-ethoxy-2-[4-[1-(3-pentadecylphenoxy)butylamino]phenyl]-1H-pyrazol-3-one Traditional Name: 5-ethoxy-2-[4-[1-(3-pentadecylphenoxy)butylamino]phenyl]-3-pyrazolin-3-one Formula: C36H55N3O3 MolecularWeight: 577.8402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CCC)NC2=CC=C(C=C2)N3C(=O)C=C(N3)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CCC)NC2=CC=C(C=C2)N3C(=O)C=C(N3)OCC

InChI

InChI=1S/C36H55N3O3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-30-22-19-23-33(28-30)42-34(20-5-2)37-31-24-26-32(27-25-31)39-36(40)29-35(38-39)41-6-3/h19,22-29,34,37-38H,4-18,20-21H2,1-3H3