N-[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[6-(2,6-dimethyl-4-morpholinyl)-3-pyridinyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[6-(2,6-dimethylmorpholino)-3-pyridyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c1-14-11-26(12-15(2)31-14)20-6-4-17(10-23-20)24-21(28)16-3-5-18(19(9-16)27(29)30)25-8-7-22-13-25/h3-10,13-15H,11-12H2,1-2H3,(H,24,28)