N-(2-methoxyphenyl)-2-[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]adamantan-2-amine

Systemtic Name: N-(2-methoxyphenyl)-2-[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]adamantan-2-amine Openeye Name: 2-[1-(4-isopropylphenyl)tetrazol-5-yl]-N-(2-methoxyphenyl)adamantan-2-amine CAS Name: N-(2-methoxyphenyl)-2-[1-(4-propan-2-ylphenyl)-5-tetrazolyl]-2-adamantanamine IUPAC Name: N-(2-methoxyphenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]adamantan-2-amine Traditional Name: (2-methoxyphenyl)-[2-(1-p-cumenyltetrazol-5-yl)-2-adamantyl]amine Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)NC6=CC=CC=C6OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)NC6=CC=CC=C6OC

InChI

InChI=1S/C27H33N5O/c1-17(2)20-8-10-23(11-9-20)32-26(29-30-31-32)27(28-24-6-4-5-7-25(24)33-3)21-13-18-12-19(15-21)16-22(27)14-18/h4-11,17-19,21-22,28H,12-16H2,1-3H3