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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]-1,3-thiazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-yl-3-quinolyl)methyl]thiazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[5,8-dimethoxy-2-(1-pyrrolidinyl)-3-quinolinyl]methyl]-5-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,3-thiazole-5-carboxamide Traditional Name: N-[(5,8-dimethoxy-2-pyrrolidino-3-quinolyl)methyl]-N-piperonyl-thiazole-5-carboxamide Formula: C28H28N4O5S MolecularWeight: 532.61072

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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)C6=CN=CS6

Isomeric SMILES

COC1=C2C=C(C(=NC2=C(C=C1)OC)N3CCCC3)CN(CC4=CC5=C(C=C4)OCO5)C(=O)C6=CN=CS6

InChI

InChI=1S/C28H28N4O5S/c1-34-21-7-8-23(35-2)26-20(21)12-19(27(30-26)31-9-3-4-10-31)15-32(28(33)25-13-29-16-38-25)14-18-5-6-22-24(11-18)37-17-36-22/h5-8,11-13,16H,3-4,9-10,14-15,17H2,1-2H3