methyl 4-[5-(2-azanyl-2-adamantyl)-1,2,3,4-tetrazol-1-yl]-1-methyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[5-(2-azanyl-2-adamantyl)-1,2,3,4-tetrazol-1-yl]-1-methyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[5-(2-amino-2-adamantyl)tetrazol-1-yl]-1-methyl-pyrazole-3-carboxylate CAS Name: 4-[5-(2-amino-2-adamantyl)-1-tetrazolyl]-1-methyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[5-(2-amino-2-adamantyl)tetrazol-1-yl]-1-methylpyrazole-3-carboxylate Traditional Name: 4-[5-(2-amino-2-adamantyl)tetrazol-1-yl]-1-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C17H23N7O2 MolecularWeight: 357.41022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OC)N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)N

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OC)N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)N

InChI

InChI=1S/C17H23N7O2/c1-23-8-13(14(20-23)15(25)26-2)24-16(19-21-22-24)17(18)11-4-9-3-10(6-11)7-12(17)5-9/h8-12H,3-7,18H2,1-2H3