3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C25H28N4O4/c1-2-3-4-9-16-29-23(30)19-12-6-5-11-18(19)22(27-29)24(31)33-17-10-15-28-21-14-8-7-13-20(21)26-25(28)32/h5-8,11-14H,2-4,9-10,15-17H2,1H3,(H,26,32)