4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[3-(6-morpholinopyridazin-3-yl)phenyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[3-[6-(4-morpholinyl)-3-pyridazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[3-(6-morpholinopyridazin-3-yl)phenyl]-3-nitro-benzamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4/c1-15-5-6-17(14-20(15)27(29)30)22(28)23-18-4-2-3-16(13-18)19-7-8-21(25-24-19)26-9-11-31-12-10-26/h2-8,13-14H,9-12H2,1H3,(H,23,28)