N-(1H-benzimidazol-2-ylmethyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyramide Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NCC2=NC3=CC=CC=C3N2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NCC2=NC3=CC=CC=C3N2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O3/c1-11-17(23(25)26)12(2)22(21-11)9-5-8-16(24)18-10-15-19-13-6-3-4-7-14(13)20-15/h3-4,6-7H,5,8-10H2,1-2H3,(H,18,24)(H,19,20)