N-[3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-[2-(4-fluorophenyl)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[2-(4-fluorophenyl)-4-thiazolyl]-2,5-dimethyl-1-pyrrolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-[2-(4-fluorophenyl)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C25H20FN5O2S MolecularWeight: 473.522003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C4=CSC(=N4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C4=CSC(=N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H20FN5O2S/c1-14-12-20(21-13-34-24(27-21)16-8-10-17(26)11-9-16)15(2)31(14)29-23(32)22-18-6-4-5-7-19(18)25(33)30(3)28-22/h4-13H,1-3H3,(H,29,32)