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

Systemtic Name: 3-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-(1H-benzimidazol-2-ylmethylamino)-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C18H14N5O3- MolecularWeight: 348.33546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O3/c24-16(19-9-15-20-13-7-3-4-8-14(13)21-15)10-23-18(26)12-6-2-1-5-11(12)17(25)22-23/h1-8H,9-10H2,(H,19,24)(H,20,21)(H,22,25)/p-1