3-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-ylmethyl)thiazol-2-yl]adamantane-1-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[4-(1-pyrrolidinylmethyl)-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Traditional Name: 3-(4-methoxyphenyl)-N-[4-(pyrrolidinomethyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=NC(=CS5)CN6CCCC6

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=NC(=CS5)CN6CCCC6

InChI

InChI=1S/C26H33N3O2S/c1-31-22-6-4-20(5-7-22)25-11-18-10-19(12-25)14-26(13-18,17-25)23(30)28-24-27-21(16-32-24)15-29-8-2-3-9-29/h4-7,16,18-19H,2-3,8-15,17H2,1H3,(H,27,28,30)