N-[(6-methyl-2-thiophen-2-yl-quinolin-3-yl)methyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(6-methyl-2-thiophen-2-yl-quinolin-3-yl)methyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[6-methyl-2-(2-thienyl)-3-quinolyl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(6-methyl-2-thiophen-2-yl-3-quinolinyl)methyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(6-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)propyl]-N-[[6-methyl-2-(2-thienyl)-3-quinolyl]methyl]-piperonylamide Formula: C30H29N3O4S MolecularWeight: 527.63396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C3=CC=CS3)CN(CCCN4CCCC4=O)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C3=CC=CS3)CN(CCCN4CCCC4=O)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H29N3O4S/c1-20-7-9-24-22(15-20)16-23(29(31-24)27-5-3-14-38-27)18-33(13-4-12-32-11-2-6-28(32)34)30(35)21-8-10-25-26(17-21)37-19-36-25/h3,5,7-10,14-17H,2,4,6,11-13,18-19H2,1H3