ethyl 2-[3-[(1-methylbenzimidazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(1-methylbenzimidazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(1-methylbenzimidazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[(1-methyl-2-benzimidazolyl)methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(1-methylbenzimidazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[(1-methylbenzimidazol-2-yl)methyl]phthalazin-1-yl]acetic acid ethyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C21H20N4O3/c1-3-28-20(26)12-17-14-8-4-5-9-15(14)21(27)25(23-17)13-19-22-16-10-6-7-11-18(16)24(19)2/h4-11H,3,12-13H2,1-2H3