N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H18N4O2 MolecularWeight: 358.39322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H18N4O2/c1-13-7-8-14(2)25(13)16-11-9-15(10-12-16)22-21(27)19-17-5-3-4-6-18(17)20(26)24-23-19/h3-12H,1-2H3,(H,22,27)(H,24,26)