N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-yl-3-quinolyl)methyl]-2-(3-thienyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[5,8-dimethoxy-2-(1-pyrrolidinyl)-3-quinolinyl]methyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-thiophen-3-ylacetamide Traditional Name: N-[(5,8-dimethoxy-2-pyrrolidino-3-quinolyl)methyl]-N-piperonyl-2-(3-thienyl)acetamide Formula: C30H31N3O5S MolecularWeight: 545.64924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C(=NC2=C(C=C1)OC)N3CCCC3)CN(CC4=CC5=C(C=C4)OCO5)C(=O)CC6=CSC=C6

Isomeric SMILES

COC1=C2C=C(C(=NC2=C(C=C1)OC)N3CCCC3)CN(CC4=CC5=C(C=C4)OCO5)C(=O)CC6=CSC=C6

InChI

InChI=1S/C30H31N3O5S/c1-35-24-7-8-26(36-2)29-23(24)15-22(30(31-29)32-10-3-4-11-32)17-33(28(34)14-21-9-12-39-18-21)16-20-5-6-25-27(13-20)38-19-37-25/h5-9,12-13,15,18H,3-4,10-11,14,16-17,19H2,1-2H3