N-(2-azanylethyl)-4-(3,5-dimethylmorpholin-4-yl)-3-[(4-nitrophenyl)carbonylamino]benzamide

Systemtic Name: N-(2-azanylethyl)-4-(3,5-dimethylmorpholin-4-yl)-3-[(4-nitrophenyl)carbonylamino]benzamide Openeye Name: N-(2-aminoethyl)-4-(3,5-dimethylmorpholin-4-yl)-3-[(4-nitrobenzoyl)amino]benzamide CAS Name: N-(2-aminoethyl)-4-(3,5-dimethyl-4-morpholinyl)-3-[[(4-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(2-aminoethyl)-4-(3,5-dimethylmorpholin-4-yl)-3-[(4-nitrobenzoyl)amino]benzamide Traditional Name: N-(2-aminoethyl)-4-(3,5-dimethylmorpholino)-3-[(4-nitrobenzoyl)amino]benzamide Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCC(N1C2=C(C=C(C=C2)C(=O)NCCN)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1COCC(N1C2=C(C=C(C=C2)C(=O)NCCN)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H27N5O5/c1-14-12-32-13-15(2)26(14)20-8-5-17(21(28)24-10-9-23)11-19(20)25-22(29)16-3-6-18(7-4-16)27(30)31/h3-8,11,14-15H,9-10,12-13,23H2,1-2H3,(H,24,28)(H,25,29)