N-[(7-methyl-2-thiophen-2-yl-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(7-methyl-2-thiophen-2-yl-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[7-methyl-2-(2-thienyl)-3-quinolyl]methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(7-methyl-2-thiophen-2-yl-3-quinolinyl)methyl]-N-[[(2R)-2-oxolanyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[7-methyl-2-(2-thienyl)-3-quinolyl]methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-piperonylamide Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CN(CC3CCCO3)C(=O)C4=CC5=C(C=C4)OCO5)C6=CC=CS6

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CN(C[C@H]3CCCO3)C(=O)C4=CC5=C(C=C4)OCO5)C6=CC=CS6

InChI

InChI=1S/C28H26N2O4S/c1-18-6-7-19-13-21(27(29-23(19)12-18)26-5-3-11-35-26)15-30(16-22-4-2-10-32-22)28(31)20-8-9-24-25(14-20)34-17-33-24/h3,5-9,11-14,22H,2,4,10,15-17H2,1H3/t22-/m1/s1