N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-nitroimidazol-1-yl)propanamide

Systemtic Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-nitroimidazol-1-yl)propionamide Formula: C20H18N6O3 MolecularWeight: 390.39532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=CN3)NC(=O)CCN4C=C(N=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=CN3)NC(=O)CCN4C=C(N=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O3/c27-19(8-9-25-11-18(23-13-25)26(28)29)24-20(14-4-2-1-3-5-14)15-6-7-16-17(10-15)22-12-21-16/h1-7,10-13,20H,8-9H2,(H,21,22)(H,24,27)