1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethyl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethyl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)ethyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)ethyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[1,2,2-tris(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)ethyl]-3-pyrazolin-3-one Formula: C46H46N8O4 MolecularWeight: 774.90864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C(C5=C(N(N(C5=O)C6=CC=CC=C6)C)C)C7=C(N(N(C7=O)C8=CC=CC=C8)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C(C5=C(N(N(C5=O)C6=CC=CC=C6)C)C)C7=C(N(N(C7=O)C8=CC=CC=C8)C)C

InChI

InChI=1S/C46H46N8O4/c1-29-37(43(55)51(47(29)5)33-21-13-9-14-22-33)41(38-30(2)48(6)52(44(38)56)34-23-15-10-16-24-34)42(39-31(3)49(7)53(45(39)57)35-25-17-11-18-26-35)40-32(4)50(8)54(46(40)58)36-27-19-12-20-28-36/h9-28,41-42H,1-8H3