[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-(3-methyl-4-nitro-phenyl)methanone Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O5/c1-15-12-17(2-5-19(15)28(30)31)23(29)27-10-8-26(9-11-27)22-7-4-18(24-25-22)16-3-6-20-21(13-16)33-14-32-20/h2-7,12-13H,8-11,14H2,1H3