4-chloranyl-5-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-chloro-5-[(6-imidazol-1-yl-3-pyridyl)methylamino]pyridazin-3-one CAS Name: 4-chloro-5-[[6-(1-imidazolyl)-3-pyridinyl]methylamino]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-chloro-5-[(6-imidazol-1-ylpyridin-3-yl)methylamino]pyridazin-3-one Traditional Name: 2-benzyl-4-chloro-5-[(6-imidazol-1-yl-3-pyridyl)methylamino]pyridazin-3-one Formula: C20H17ClN6O MolecularWeight: 392.84158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)NCC3=CN=C(C=C3)N4C=CN=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)NCC3=CN=C(C=C3)N4C=CN=C4)Cl

InChI

InChI=1S/C20H17ClN6O/c21-19-17(12-25-27(20(19)28)13-15-4-2-1-3-5-15)23-10-16-6-7-18(24-11-16)26-9-8-22-14-26/h1-9,11-12,14,23H,10,13H2