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

Systemtic Name: N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[3-(6-morpholinopyridazin-3-yl)phenyl]-3-nitro-benzamide CAS Name: N-[3-[6-(4-morpholinyl)-3-pyridazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[3-(6-morpholinopyridazin-3-yl)phenyl]-3-nitro-benzamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4/c27-21(16-4-2-6-18(14-16)26(28)29)22-17-5-1-3-15(13-17)19-7-8-20(24-23-19)25-9-11-30-12-10-25/h1-8,13-14H,9-12H2,(H,22,27)