4-imidazol-1-yl-N-(2-morpholin-4-yl-2-phenyl-ethyl)-3-nitro-benzamide

Systemtic Name: 4-imidazol-1-yl-N-(2-morpholin-4-yl-2-phenyl-ethyl)-3-nitro-benzamide Openeye Name: 4-imidazol-1-yl-N-(2-morpholino-2-phenyl-ethyl)-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-N-[2-(4-morpholinyl)-2-phenylethyl]-3-nitrobenzamide IUPAC Name: 4-imidazol-1-yl-N-(2-morpholin-4-yl-2-phenylethyl)-3-nitrobenzamide Traditional Name: 4-imidazol-1-yl-N-(2-morpholino-2-phenyl-ethyl)-3-nitro-benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O4/c28-22(18-6-7-19(20(14-18)27(29)30)26-9-8-23-16-26)24-15-21(17-4-2-1-3-5-17)25-10-12-31-13-11-25/h1-9,14,16,21H,10-13,15H2,(H,24,28)