2-(3-imidazol-1-ylpropylamino)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-(3-imidazol-1-ylpropylamino)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[3-(1-imidazolyl)propylamino]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-(3-imidazol-1-ylpropylamino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-(3-imidazol-1-ylpropylamino)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C21H23N5O3 MolecularWeight: 393.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-16-8-9-18(19(14-16)26(28)29)24-21(27)20(17-6-3-2-4-7-17)23-10-5-12-25-13-11-22-15-25/h2-4,6-9,11,13-15,20,23H,5,10,12H2,1H3,(H,24,27)