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

Systemtic Name: 5-[2-(4-aminophenyl)ethyl]-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[2-(4-aminophenyl)ethyl]-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[2-(4-aminophenyl)ethyl]-4-[(E)-2-pyrrolylidenemethyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[2-(4-aminophenyl)ethyl]-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[2-(4-aminophenyl)ethyl]-4-[(E)-pyrrol-2-ylidenemethyl]-3-pyrazolin-3-one Formula: C16H16N4O MolecularWeight: 280.32444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(NNC2=O)CCC3=CC=C(C=C3)N)N=C1

Isomeric SMILES

C1=C/C(=C\C2=C(NNC2=O)CCC3=CC=C(C=C3)N)/N=C1

InChI

InChI=1S/C16H16N4O/c17-12-6-3-11(4-7-12)5-8-15-14(16(21)20-19-15)10-13-2-1-9-18-13/h1-4,6-7,9-10H,5,8,17H2,(H2,19,20,21)/b13-10+