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

Systemtic Name: [4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]-(4-bromanyl-1-methyl-pyrazol-3-yl)methanone Openeye Name: [4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]-(4-bromo-1-methyl-pyrazol-3-yl)methanone CAS Name: [4-(1-adamantyl)-3,5-dimethyl-1-pyrazolyl]-(4-bromo-1-methyl-3-pyrazolyl)methanone IUPAC Name: [4-(1-adamantyl)-3,5-dimethylpyrazol-1-yl]-(4-bromo-1-methylpyrazol-3-yl)methanone Traditional Name: [4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]-(4-bromo-1-methyl-pyrazol-3-yl)methanone Formula: C20H25BrN4O MolecularWeight: 417.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=NN(C=C2Br)C)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=NN(C=C2Br)C)C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25BrN4O/c1-11-17(20-7-13-4-14(8-20)6-15(5-13)9-20)12(2)25(22-11)19(26)18-16(21)10-24(3)23-18/h10,13-15H,4-9H2,1-3H3