(E)-[2-(4-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(5-methyl-1-phenyl-pyrazol-4-yl)methanolate

Systemtic Name: (E)-[2-(4-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(5-methyl-1-phenyl-pyrazol-4-yl)methanolate Openeye Name: (E)-[2-(4-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(5-methyl-1-phenyl-pyrazol-4-yl)methanolate CAS Name: (E)-[2-(4-fluorophenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-(5-methyl-1-phenyl-4-pyrazolyl)methanolate IUPAC Name: (E)-[2-(4-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methyl-1-phenylpyrazol-4-yl)methanolate Traditional Name: (E)-[2-(4-fluorophenyl)-4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidin-3-ylidene]-(5-methyl-1-phenyl-pyrazol-4-yl)methanolate Formula: C27H27FN4O4 MolecularWeight: 490.526083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC[NH+]4CCOCC4)C5=CC=C(C=C5)F)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CC[NH+]4CCOCC4)C5=CC=C(C=C5)F)/[O-]

InChI

InChI=1S/C27H27FN4O4/c1-18-22(17-29-32(18)21-5-3-2-4-6-21)25(33)23-24(19-7-9-20(28)10-8-19)31(27(35)26(23)34)12-11-30-13-15-36-16-14-30/h2-10,17,24,33H,11-16H2,1H3/b25-23+