N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-nitropyrazol-1-yl)butanamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-nitropyrazol-1-yl)butanamide CAS Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-nitropyrazol-1-yl)butanamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3-nitropyrazol-1-yl)butyramide Formula: C16H18N6O3 MolecularWeight: 342.35252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CCCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CCCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O3/c23-16(6-3-10-21-11-8-15(20-21)22(24)25)17-9-7-14-18-12-4-1-2-5-13(12)19-14/h1-2,4-5,8,11H,3,6-7,9-10H2,(H,17,23)(H,18,19)