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

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5)C)[N+](=O)[O-]

InChI

InChI=1S/C26H30N6O3/c1-16-24(32(34)35)17(2)30(28-16)15-18-4-3-5-22(11-18)25(33)27-23-6-7-31(29-23)26-12-19-8-20(13-26)10-21(9-19)14-26/h3-7,11,19-21H,8-10,12-15H2,1-2H3,(H,27,29,33)