(4R)-2-(4-nitrophenyl)-5-phenyl-4-(2-piperazin-1-ylethyliminomethyl)-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(4-nitrophenyl)-5-phenyl-4-(2-piperazin-1-ylethyliminomethyl)-4H-pyrazol-3-one Openeye Name: (4R)-2-(4-nitrophenyl)-5-phenyl-4-(2-piperazin-1-ylethyliminomethyl)-4H-pyrazol-3-one CAS Name: (4R)-2-(4-nitrophenyl)-5-phenyl-4-[2-(1-piperazinyl)ethyliminomethyl]-4H-pyrazol-3-one IUPAC Name: (4R)-2-(4-nitrophenyl)-5-phenyl-4-(2-piperazin-1-ylethyliminomethyl)-4H-pyrazol-3-one Traditional Name: (4R)-2-(4-nitrophenyl)-5-phenyl-4-(2-piperazinoethyliminomethyl)-2-pyrazolin-3-one Formula: C22H24N6O3 MolecularWeight: 420.46436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCN=CC2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)CCN=C[C@@H]2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O3/c29-22-20(16-24-12-15-26-13-10-23-11-14-26)21(17-4-2-1-3-5-17)25-27(22)18-6-8-19(9-7-18)28(30)31/h1-9,16,20,23H,10-15H2/t20-/m1/s1