2-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]-N-[[3-(1-imidazolylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]-N-[3-(imidazol-1-ylmethyl)benzyl]benzamide Formula: C27H25N5O4 MolecularWeight: 483.5185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCC3=CC=CC(=C3)CN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCC3=CC=CC(=C3)CN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O4/c1-30(2)24-11-10-21(15-25(24)32(35)36)26(33)22-8-3-4-9-23(22)27(34)29-16-19-6-5-7-20(14-19)17-31-13-12-28-18-31/h3-15,18H,16-17H2,1-2H3,(H,29,34)