[4-[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]piperazino]-(2-furyl)methanone Formula: C23H27N5O5 MolecularWeight: 453.49098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H27N5O5/c29-21(19-2-1-7-33-19)25-3-5-26(6-4-25)22(30)20-18(28(31)32)14-27(24-20)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-2,7,14-17H,3-6,8-13H2