[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazino]-(3-nitrophenyl)methanone Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H23N5O5/c1-32-20-8-6-16(15-21(20)33-2)19-7-9-22(25-24-19)26-10-12-27(13-11-26)23(29)17-4-3-5-18(14-17)28(30)31/h3-9,14-15H,10-13H2,1-2H3