N-[2-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]amino]phenyl]-4-nitro-benzamide

Systemtic Name: N-[2-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]amino]phenyl]-4-nitro-benzamide Openeye Name: N-[2-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]amino]phenyl]-4-nitro-benzamide CAS Name: N-[2-[[2-(2-cyanoethyl)-5-phenyl-3-pyrazolyl]amino]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[[2-(2-cyanoethyl)-5-phenylpyrazol-3-yl]amino]phenyl]-4-nitrobenzamide Traditional Name: N-[2-[[2-(2-cyanoethyl)-5-phenyl-pyrazol-3-yl]amino]phenyl]-4-nitro-benzamide Formula: C25H20N6O3 MolecularWeight: 452.4647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C25H20N6O3/c26-15-6-16-30-24(17-23(29-30)18-7-2-1-3-8-18)27-21-9-4-5-10-22(21)28-25(32)19-11-13-20(14-12-19)31(33)34/h1-5,7-14,17,27H,6,16H2,(H,28,32)