2-azanyl-6-ethyl-4-nitro-1-(phenylmethyl)-3-[1-(phenylmethyl)benzimidazol-2-yl]pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-6-ethyl-4-nitro-1-(phenylmethyl)-3-[1-(phenylmethyl)benzimidazol-2-yl]pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-benzyl-3-(1-benzylbenzimidazol-2-yl)-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-6-ethyl-4-nitro-1-(phenylmethyl)-3-[1-(phenylmethyl)-2-benzimidazolyl]-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-1-benzyl-3-(1-benzylbenzimidazol-2-yl)-6-ethyl-4-nitropyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-benzyl-3-(1-benzylbenzimidazol-2-yl)-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Formula: C29H25N7O3 MolecularWeight: 519.5539

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=C(N2CC3=CC=CC=C3)N)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6)C(=N1)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=C(C(=C(N2CC3=CC=CC=C3)N)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6)C(=N1)[N+](=O)[O-]

InChI

InChI=1S/C29H25N7O3/c1-2-35-29(37)25-23(28(32-35)36(38)39)24(26(30)34(25)18-20-13-7-4-8-14-20)27-31-21-15-9-10-16-22(21)33(27)17-19-11-5-3-6-12-19/h3-16H,2,17-18,30H2,1H3