N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C20H17N7O3 MolecularWeight: 403.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H17N7O3/c1-13-9-14(2)26(24-13)19-6-4-16(11-22-19)23-20(28)15-3-5-17(18(10-15)27(29)30)25-8-7-21-12-25/h3-12H,1-2H3,(H,23,28)