[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]-(1,5-dimethyl-4-nitro-pyrazol-3-yl)methanone

Systemtic Name: [4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]-(1,5-dimethyl-4-nitro-pyrazol-3-yl)methanone Openeye Name: [4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]-(1,5-dimethyl-4-nitro-pyrazol-3-yl)methanone CAS Name: [4-(1-adamantyl)-3,5-dimethyl-1-pyrazolyl]-(1,5-dimethyl-4-nitro-3-pyrazolyl)methanone IUPAC Name: [4-(1-adamantyl)-3,5-dimethylpyrazol-1-yl]-(1,5-dimethyl-4-nitropyrazol-3-yl)methanone Traditional Name: [4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]-(1,5-dimethyl-4-nitro-pyrazol-3-yl)methanone Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=NN(C(=C2[N+](=O)[O-])C)C)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=NN(C(=C2[N+](=O)[O-])C)C)C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N5O3/c1-11-17(21-8-14-5-15(9-21)7-16(6-14)10-21)12(2)25(22-11)20(27)18-19(26(28)29)13(3)24(4)23-18/h14-16H,5-10H2,1-4H3