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

Systemtic Name: 2-azanyl-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitro-1-phenethyl-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitro-1-phenethyl-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-6-methyl-3-(1-methyl-2-benzimidazolyl)-4-nitro-1-phenethyl-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitro-1-phenethylpyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-6-methyl-3-(1-methylbenzimidazol-2-yl)-4-nitro-1-phenethyl-pyrrolo[2,3-d]pyridazin-7-one Formula: C23H21N7O3 MolecularWeight: 443.45794

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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-])CCC5=CC=CC=C5)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=C(N(C4=C3C(=NN(C4=O)C)[N+](=O)[O-])CCC5=CC=CC=C5)N

InChI

InChI=1S/C23H21N7O3/c1-27-16-11-7-6-10-15(16)25-21(27)18-17-19(23(31)28(2)26-22(17)30(32)33)29(20(18)24)13-12-14-8-4-3-5-9-14/h3-11H,12-13,24H2,1-2H3