3,5-dinitro-N-[(2R,3S,7S)-2-phenyl-7-(phenylmethyl)azepan-3-yl]benzamide

Systemtic Name: 3,5-dinitro-N-[(2R,3S,7S)-2-phenyl-7-(phenylmethyl)azepan-3-yl]benzamide Openeye Name: N-[(2R,3S,7S)-7-benzyl-2-phenyl-azepan-3-yl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(2R,3S,7S)-2-phenyl-7-(phenylmethyl)-3-azepanyl]benzamide IUPAC Name: N-[(2R,3S,7S)-7-benzyl-2-phenylazepan-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[(2R,3S,7S)-7-benzyl-2-phenyl-azepan-3-yl]-3,5-dinitro-benzamide Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC(C(C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N[C@@H]([C@H](C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O5/c31-26(20-15-22(29(32)33)17-23(16-20)30(34)35)28-24-13-7-12-21(14-18-8-3-1-4-9-18)27-25(24)19-10-5-2-6-11-19/h1-6,8-11,15-17,21,24-25,27H,7,12-14H2,(H,28,31)/t21-,24-,25+/m0/s1