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

Systemtic Name: N-(1-adamantylmethyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-benzamide Openeye Name: N-(1-adamantylmethyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-benzamide CAS Name: N-(1-adamantylmethyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-methylbenzamide IUPAC Name: N-(1-adamantylmethyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-methylbenzamide Traditional Name: N-(1-adamantylmethyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-benzamide Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(C)CC34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(C)CC34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O3/c1-16-23(29(31)32)17(2)28(26-16)14-18-4-6-22(7-5-18)24(30)27(3)15-25-11-19-8-20(12-25)10-21(9-19)13-25/h4-7,19-21H,8-15H2,1-3H3