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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[(4-chlorophenyl)methyl]-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[(4-chlorophenyl)methyl]-4-[(E)-2-pyrrolylidenemethyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-(4-chlorobenzyl)-4-[(E)-pyrrol-2-ylidenemethyl]-3-pyrazolin-3-one Formula: C15H12ClN3O MolecularWeight: 285.72828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(NNC2=O)CC3=CC=C(C=C3)Cl)N=C1

Isomeric SMILES

C1=C/C(=C\C2=C(NNC2=O)CC3=CC=C(C=C3)Cl)/N=C1

InChI

InChI=1S/C15H12ClN3O/c16-11-5-3-10(4-6-11)8-14-13(15(20)19-18-14)9-12-2-1-7-17-12/h1-7,9H,8H2,(H2,18,19,20)/b12-9+