2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(1-piperidyl)-8-isoquinolyl]acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(5-piperidino-8-isoquinolyl)acetamide Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

InChI

InChI=1S/C26H28N6O2S/c1-18-29-30-26(32(18)19-6-8-20(34-2)9-7-19)35-17-25(33)28-23-10-11-24(31-14-4-3-5-15-31)21-12-13-27-16-22(21)23/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,28,33)