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

Systemtic Name: 2-(hexylamino)-5-nitro-N-[[4-(phenylmethyl)morpholin-2-yl]methyl]benzamide Openeye Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-(hexylamino)-5-nitro-benzamide CAS Name: 2-(hexylamino)-5-nitro-N-[[4-(phenylmethyl)-2-morpholinyl]methyl]benzamide IUPAC Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-(hexylamino)-5-nitrobenzamide Traditional Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-(hexylamino)-5-nitro-benzamide Formula: C25H34N4O4 MolecularWeight: 454.56186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2CN(CCO2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2CN(CCO2)CC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O4/c1-2-3-4-8-13-26-24-12-11-21(29(31)32)16-23(24)25(30)27-17-22-19-28(14-15-33-22)18-20-9-6-5-7-10-20/h5-7,9-12,16,22,26H,2-4,8,13-15,17-19H2,1H3,(H,27,30)