3-(diethylamino)-1-(2-fluorophenyl)-4-(2-methyl-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 3-(diethylamino)-1-(2-fluorophenyl)-4-(2-methyl-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(diethylamino)-1-(2-fluorophenyl)-4-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(diethylamino)-1-(2-fluorophenyl)-4-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 3-(diethylamino)-1-(2-fluorophenyl)-4-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(diethylamino)-1-(2-fluorophenyl)-4-(5-keto-1-methyl-3-propyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C21H25FN4O3 MolecularWeight: 400.446603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C)C2=C(C(=O)N(C2=O)C3=CC=CC=C3F)N(CC)CC

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C)C2=C(C(=O)N(C2=O)C3=CC=CC=C3F)N(CC)CC

InChI

InChI=1S/C21H25FN4O3/c1-5-10-14-16(19(27)24(4)23-14)17-18(25(6-2)7-3)21(29)26(20(17)28)15-12-9-8-11-13(15)22/h8-9,11-12,23H,5-7,10H2,1-4H3