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

Systemtic Name: 2-azanyl-1-cyclohexyl-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-cyclohexyl-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitro-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-cyclohexyl-6-methyl-3-(1-methyl-2-benzimidazolyl)-4-nitro-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-1-cyclohexyl-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitropyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-cyclohexyl-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=C(N(C4=C3C(=NN(C4=O)C)[N+](=O)[O-])C5CCCCC5)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=C(N(C4=C3C(=NN(C4=O)C)[N+](=O)[O-])C5CCCCC5)N

InChI

InChI=1S/C21H23N7O3/c1-25-14-11-7-6-10-13(14)23-19(25)16-15-17(21(29)26(2)24-20(15)28(30)31)27(18(16)22)12-8-4-3-5-9-12/h6-7,10-12H,3-5,8-9,22H2,1-2H3