N-[2-(diethylamino)-2-phenyl-ethyl]-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-[2-(diethylamino)-2-phenyl-ethyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[2-(diethylamino)-2-phenyl-ethyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[2-(diethylamino)-2-phenylethyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[2-(diethylamino)-2-phenylethyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[2-(diethylamino)-2-phenyl-ethyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C22H25N5O3 MolecularWeight: 407.4656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3/c1-3-25(4-2)21(17-8-6-5-7-9-17)15-24-22(28)18-10-11-19(20(14-18)27(29)30)26-13-12-23-16-26/h5-14,16,21H,3-4,15H2,1-2H3,(H,24,28)