4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazole

Systemtic Name: 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazole Openeye Name: 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)-5-methyl-oxazole CAS Name: 4-[[4-(2-adamantyl)-1-piperazinyl]methyl]-2-(3,4-dimethoxyphenyl)-5-methyloxazole IUPAC Name: 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazole Traditional Name: 4-[[4-(2-adamantyl)piperazino]methyl]-2-(3,4-dimethoxyphenyl)-5-methyl-oxazole Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CN3CCN(CC3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CN3CCN(CC3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C27H37N3O3/c1-17-23(28-27(33-17)20-4-5-24(31-2)25(15-20)32-3)16-29-6-8-30(9-7-29)26-21-11-18-10-19(13-21)14-22(26)12-18/h4-5,15,18-19,21-22,26H,6-14,16H2,1-3H3