N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(C)C2=NC3=CC=CC=C3N2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N[C@@H](C)C2=NC3=CC=CC=C3N2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O3/c1-9-15(22(24)25)11(3)21(20-9)8-14(23)17-10(2)16-18-12-6-4-5-7-13(12)19-16/h4-7,10H,8H2,1-3H3,(H,17,23)(H,18,19)/t10-/m0/s1