N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoranyl-2-morpholin-4-yl-quinolin-3-yl)methyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoranyl-2-morpholin-4-yl-quinolin-3-yl)methyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-morpholino-3-quinolyl)methyl]-2-(3-thienyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-fluoro-2-(4-morpholinyl)-3-quinolinyl]methyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-morpholin-4-ylquinolin-3-yl)methyl]-2-thiophen-3-ylacetamide Traditional Name: N-[(7-fluoro-2-morpholino-3-quinolyl)methyl]-N-piperonyl-2-(3-thienyl)acetamide Formula: C28H26FN3O4S MolecularWeight: 519.587143

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C3C=CC(=CC3=N2)F)CN(CC4=CC5=C(C=C4)OCO5)C(=O)CC6=CSC=C6

Isomeric SMILES

C1COCCN1C2=C(C=C3C=CC(=CC3=N2)F)CN(CC4=CC5=C(C=C4)OCO5)C(=O)CC6=CSC=C6

InChI

InChI=1S/C28H26FN3O4S/c29-23-3-2-21-13-22(28(30-24(21)14-23)31-6-8-34-9-7-31)16-32(27(33)12-20-5-10-37-17-20)15-19-1-4-25-26(11-19)36-18-35-25/h1-5,10-11,13-14,17H,6-9,12,15-16,18H2