[3-(4-methoxyphenyl)-1-adamantyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: [3-(4-methoxyphenyl)-1-adamantyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [3-(4-methoxyphenyl)-1-adamantyl]-(4-thiazol-2-ylpiperazin-1-yl)methanone CAS Name: [3-(4-methoxyphenyl)-1-adamantyl]-[4-(2-thiazolyl)-1-piperazinyl]methanone IUPAC Name: [3-(4-methoxyphenyl)-1-adamantyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [3-(4-methoxyphenyl)-1-adamantyl]-(4-thiazol-2-ylpiperazino)methanone Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)C6=NC=CS6

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)C6=NC=CS6

InChI

InChI=1S/C25H31N3O2S/c1-30-21-4-2-20(3-5-21)24-13-18-12-19(14-24)16-25(15-18,17-24)22(29)27-7-9-28(10-8-27)23-26-6-11-31-23/h2-6,11,18-19H,7-10,12-17H2,1H3