N-[[3-(aminomethyl)phenyl]methyl]-4-(3,5-dimethylmorpholin-4-yl)-3-[(4-nitrophenyl)carbonylamino]benzamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-4-(3,5-dimethylmorpholin-4-yl)-3-[(4-nitrophenyl)carbonylamino]benzamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-4-(3,5-dimethylmorpholin-4-yl)-3-[(4-nitrobenzoyl)amino]benzamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-4-(3,5-dimethyl-4-morpholinyl)-3-[[(4-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-4-(3,5-dimethylmorpholin-4-yl)-3-[(4-nitrobenzoyl)amino]benzamide Traditional Name: N-[3-(aminomethyl)benzyl]-4-(3,5-dimethylmorpholino)-3-[(4-nitrobenzoyl)amino]benzamide Formula: C28H31N5O5 MolecularWeight: 517.57624

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCC(N1C2=C(C=C(C=C2)C(=O)NCC3=CC=CC(=C3)CN)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1COCC(N1C2=C(C=C(C=C2)C(=O)NCC3=CC=CC(=C3)CN)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H31N5O5/c1-18-16-38-17-19(2)32(18)26-11-8-23(27(34)30-15-21-5-3-4-20(12-21)14-29)13-25(26)31-28(35)22-6-9-24(10-7-22)33(36)37/h3-13,18-19H,14-17,29H2,1-2H3,(H,30,34)(H,31,35)