N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[6-(4-methyl-1-piperidyl)pyridazin-3-yl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[6-(4-methyl-1-piperidinyl)-3-pyridazinyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[6-(4-methylpiperidino)pyridazin-3-yl]phenyl]-3,5-dinitro-benzamide Formula: C23H22N6O5 MolecularWeight: 462.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O5/c1-15-8-10-27(11-9-15)22-7-6-21(25-26-22)16-2-4-18(5-3-16)24-23(30)17-12-19(28(31)32)14-20(13-17)29(33)34/h2-7,12-15H,8-11H2,1H3,(H,24,30)