methyl 3-(3-chloranyl-1,2,4-triazol-1-yl)adamantane-1-carboxylate

Systemtic Name: methyl 3-(3-chloranyl-1,2,4-triazol-1-yl)adamantane-1-carboxylate Openeye Name: methyl 3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxylate CAS Name: 3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxylate Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid methyl ester Formula: C14H18ClN3O2 MolecularWeight: 295.76462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)N4C=NC(=N4)Cl

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)N4C=NC(=N4)Cl

InChI

InChI=1S/C14H18ClN3O2/c1-20-11(19)13-3-9-2-10(4-13)6-14(5-9,7-13)18-8-16-12(15)17-18/h8-10H,2-7H2,1H3