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

Systemtic Name: 2-azanyl-1-cyclohexyl-6-ethyl-4-nitro-3-[1-(phenylmethyl)benzimidazol-2-yl]pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(1-benzylbenzimidazol-2-yl)-1-cyclohexyl-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-cyclohexyl-6-ethyl-4-nitro-3-[1-(phenylmethyl)-2-benzimidazolyl]-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-3-(1-benzylbenzimidazol-2-yl)-1-cyclohexyl-6-ethyl-4-nitropyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-(1-benzylbenzimidazol-2-yl)-1-cyclohexyl-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Formula: C28H29N7O3 MolecularWeight: 511.57496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=C(N2C3CCCCC3)N)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6)C(=N1)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=C(C(=C(N2C3CCCCC3)N)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6)C(=N1)[N+](=O)[O-]

InChI

InChI=1S/C28H29N7O3/c1-2-33-28(36)24-22(27(31-33)35(37)38)23(25(29)34(24)19-13-7-4-8-14-19)26-30-20-15-9-10-16-21(20)32(26)17-18-11-5-3-6-12-18/h3,5-6,9-12,15-16,19H,2,4,7-8,13-14,17,29H2,1H3