5-[(4-phenylphenoxy)methyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[(4-phenylphenoxy)methyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[(4-phenylphenoxy)methyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[(4-phenylphenoxy)methyl]-4-[(Z)-2-pyrrolylidenemethyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[(4-phenylphenoxy)methyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[(4-phenylphenoxy)methyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-3-pyrazolin-3-one Formula: C21H17N3O2 MolecularWeight: 343.37858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=C(C(=O)NN3)C=C4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=C(C(=O)NN3)/C=C\4/C=CC=N4

InChI

InChI=1S/C21H17N3O2/c25-21-19(13-17-7-4-12-22-17)20(23-24-21)14-26-18-10-8-16(9-11-18)15-5-2-1-3-6-15/h1-13H,14H2,(H2,23,24,25)/b17-13-