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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(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

C1CCCN(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/c30-23(17-13-19(28(31)32)15-20(14-17)29(33)34)24-18-7-5-16(6-8-18)21-9-10-22(26-25-21)27-11-3-1-2-4-12-27/h5-10,13-15H,1-4,11-12H2,(H,24,30)