2-nitro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide

Systemtic Name: 2-nitro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide Openeye Name: 2-nitro-N-[4-[6-(1-piperidyl)pyridazin-3-yl]phenyl]benzamide CAS Name: 2-nitro-N-[4-[6-(1-piperidinyl)-3-pyridazinyl]phenyl]benzamide IUPAC Name: 2-nitro-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide Traditional Name: 2-nitro-N-[4-(6-piperidinopyridazin-3-yl)phenyl]benzamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c28-22(18-6-2-3-7-20(18)27(29)30)23-17-10-8-16(9-11-17)19-12-13-21(25-24-19)26-14-4-1-5-15-26/h2-3,6-13H,1,4-5,14-15H2,(H,23,28)