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

Systemtic Name: 4-(dimethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]methyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridyl]methyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[[6-(2,6-dimethyl-4-morpholinyl)-3-pyridinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]methyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[[6-(2,6-dimethylmorpholino)-3-pyridyl]methyl]-3-nitro-benzamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O4/c1-14-12-25(13-15(2)30-14)20-8-5-16(10-22-20)11-23-21(27)17-6-7-18(24(3)4)19(9-17)26(28)29/h5-10,14-15H,11-13H2,1-4H3,(H,23,27)