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

Systemtic Name: 2-azanyl-1-[(4-methoxyphenyl)methyl]-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-[(4-methoxyphenyl)methyl]-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitro-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-[(4-methoxyphenyl)methyl]-6-methyl-3-(1-methyl-2-benzimidazolyl)-4-nitro-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-1-[(4-methoxyphenyl)methyl]-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitropyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitro-1-p-anisyl-pyrrolo[2,3-d]pyridazin-7-one Formula: C23H21N7O4 MolecularWeight: 459.45734

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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-])CC5=CC=C(C=C5)OC)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=C(N(C4=C3C(=NN(C4=O)C)[N+](=O)[O-])CC5=CC=C(C=C5)OC)N

InChI

InChI=1S/C23H21N7O4/c1-27-16-7-5-4-6-15(16)25-21(27)18-17-19(23(31)28(2)26-22(17)30(32)33)29(20(18)24)12-13-8-10-14(34-3)11-9-13/h4-11H,12,24H2,1-3H3