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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N2C(=C(C(=N2)C)C34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N2C(=C(C(=N2)C)C34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O3/c1-4-24-11-17(26(28)29)19(23-24)20(27)25-13(3)18(12(2)22-25)21-8-14-5-15(9-21)7-16(6-14)10-21/h11,14-16H,4-10H2,1-3H3