2-[1-(2-ethyl-6-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]-N-(4-methoxyphenyl)adamantan-2-amine

Systemtic Name: 2-[1-(2-ethyl-6-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]-N-(4-methoxyphenyl)adamantan-2-amine Openeye Name: 2-[1-(2-ethyl-6-methyl-phenyl)tetrazol-5-yl]-N-(4-methoxyphenyl)adamantan-2-amine CAS Name: 2-[1-(2-ethyl-6-methylphenyl)-5-tetrazolyl]-N-(4-methoxyphenyl)-2-adamantanamine IUPAC Name: 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N-(4-methoxyphenyl)adamantan-2-amine Traditional Name: [2-[1-(2-ethyl-6-methyl-phenyl)tetrazol-5-yl]-2-adamantyl]-(4-methoxyphenyl)amine Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)NC6=CC=C(C=C6)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)NC6=CC=C(C=C6)OC)C

InChI

InChI=1S/C27H33N5O/c1-4-20-7-5-6-17(2)25(20)32-26(29-30-31-32)27(28-23-8-10-24(33-3)11-9-23)21-13-18-12-19(15-21)16-22(27)14-18/h5-11,18-19,21-22,28H,4,12-16H2,1-3H3