N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3/c1-24-19-12-11-16(14-21(19)28(30)31)23(29)27-20(13-15-7-3-2-4-8-15)22-25-17-9-5-6-10-18(17)26-22/h2-12,14,20,24H,13H2,1H3,(H,25,26)(H,27,29)/t20-/m0/s1