1-[3-[2-(1H-benzimidazol-2-yl)ethylamino]-3-oxidanylidene-propyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[3-[2-(1H-benzimidazol-2-yl)ethylamino]-3-oxidanylidene-propyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[3-[2-(1H-benzimidazol-2-yl)ethylamino]-3-oxo-propyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[3-[2-(1H-benzimidazol-2-yl)ethylamino]-3-oxopropyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[3-[2-(1H-benzimidazol-2-yl)ethylamino]-3-oxopropyl]-6-oxopyridazin-3-olate Traditional Name: 1-[3-[2-(1H-benzimidazol-2-yl)ethylamino]-3-keto-propyl]-6-keto-pyridazin-3-olate Formula: C16H16N5O3- MolecularWeight: 326.32994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CCN3C(=O)C=CC(=N3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CCN3C(=O)C=CC(=N3)[O-]

InChI

InChI=1S/C16H17N5O3/c22-14(8-10-21-16(24)6-5-15(23)20-21)17-9-7-13-18-11-3-1-2-4-12(11)19-13/h1-6H,7-10H2,(H,17,22)(H,18,19)(H,20,23)/p-1