N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O3/c1-16-20(17(2)28(26-16)14-18-6-4-3-5-7-18)13-25-23(30)19-8-9-21(22(12-19)29(31)32)27-11-10-24-15-27/h3-12,15H,13-14H2,1-2H3,(H,25,30)