2-azanyl-4-(dimethylamino)-5-nitro-N-[[4-(phenylmethyl)morpholin-2-yl]methyl]benzamide

Systemtic Name: 2-azanyl-4-(dimethylamino)-5-nitro-N-[[4-(phenylmethyl)morpholin-2-yl]methyl]benzamide Openeye Name: 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-4-(dimethylamino)-5-nitro-benzamide CAS Name: 2-amino-4-(dimethylamino)-5-nitro-N-[[4-(phenylmethyl)-2-morpholinyl]methyl]benzamide IUPAC Name: 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-4-(dimethylamino)-5-nitrobenzamide Traditional Name: 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-4-(dimethylamino)-5-nitro-benzamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C(=C1)N)C(=O)NCC2CN(CCO2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C(=C1)N)C(=O)NCC2CN(CCO2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4/c1-24(2)19-11-18(22)17(10-20(19)26(28)29)21(27)23-12-16-14-25(8-9-30-16)13-15-6-4-3-5-7-15/h3-7,10-11,16H,8-9,12-14,22H2,1-2H3,(H,23,27)