N-(1-adamantyl)-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine-1-carboxamide Formula: C26H34N6O3 MolecularWeight: 478.58656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])C

InChI

InChI=1S/C26H34N6O3/c1-17-9-18(2)31(28-17)24-13-22(3-4-23(24)32(34)35)29-5-7-30(8-6-29)25(33)27-26-14-19-10-20(15-26)12-21(11-19)16-26/h3-4,9,13,19-21H,5-8,10-12,14-16H2,1-2H3,(H,27,33)