4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-6-chloranyl-3-phenyl-pyridazine

Systemtic Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-6-chloranyl-3-phenyl-pyridazine Openeye Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-6-chloro-3-phenyl-pyridazine CAS Name: 4-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-6-chloro-3-phenylpyridazine IUPAC Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-6-chloro-3-phenylpyridazine Traditional Name: 6-chloro-4-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxy-3-phenyl-pyridazine Formula: C26H22ClN7O5 MolecularWeight: 547.94978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC(=NN=C5C6=CC=CC=C6)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC(=NN=C5C6=CC=CC=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H22ClN7O5/c27-22-13-21(23(31-30-22)18-4-2-1-3-5-18)39-26-24(34(35)36)25(28-15-29-26)33-10-8-32(9-11-33)14-17-6-7-19-20(12-17)38-16-37-19/h1-7,12-13,15H,8-11,14,16H2