3-[3-(1H-benzimidazol-2-ylmethylamino)-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-(1H-benzimidazol-2-ylmethylamino)-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-(1H-benzimidazol-2-ylmethylamino)-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-(1H-benzimidazol-2-ylmethylamino)-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-(1H-benzimidazol-2-ylmethylamino)-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-(1H-benzimidazol-2-ylmethylamino)-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C19H16N5O3- MolecularWeight: 362.36204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NCC3=NC4=CC=CC=C4N3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NCC3=NC4=CC=CC=C4N3)[O-]

InChI

InChI=1S/C19H17N5O3/c25-17(20-11-16-21-14-7-3-4-8-15(14)22-16)9-10-24-19(27)13-6-2-1-5-12(13)18(26)23-24/h1-8H,9-11H2,(H,20,25)(H,21,22)(H,23,26)/p-1