N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[6-methyl-2-(4-oxidanylpiperidin-1-yl)quinolin-3-yl]methyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[6-methyl-2-(4-oxidanylpiperidin-1-yl)quinolin-3-yl]methyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[2-(4-hydroxy-1-piperidyl)-6-methyl-3-quinolyl]methyl]-2-(3-thienyl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[2-(4-hydroxy-1-piperidinyl)-6-methyl-3-quinolinyl]methyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[2-(4-hydroxypiperidin-1-yl)-6-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[2-(4-hydroxypiperidino)-6-methyl-3-quinolyl]methyl]-2-(3-thienyl)acetamide Formula: C31H33N3O4S MolecularWeight: 543.67642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)N3CCC(CC3)O)CN(CC4COC5=CC=CC=C5O4)C(=O)CC6=CSC=C6

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)N3CCC(CC3)O)CN(CC4COC5=CC=CC=C5O4)C(=O)CC6=CSC=C6

InChI

InChI=1S/C31H33N3O4S/c1-21-6-7-27-23(14-21)16-24(31(32-27)33-11-8-25(35)9-12-33)17-34(30(36)15-22-10-13-39-20-22)18-26-19-37-28-4-2-3-5-29(28)38-26/h2-7,10,13-14,16,20,25-26,35H,8-9,11-12,15,17-19H2,1H3