1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-pentyl-4-quinolin-2-yl-pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-pentyl-4-quinolin-2-yl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-pentyl-4-(2-quinolyl)pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-pentyl-4-(2-quinolinyl)-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-pentyl-4-quinolin-2-ylpyrrole-3-carboxamide Traditional Name: 5-amyl-2-methyl-1-piperonyl-4-(2-quinolyl)pyrrole-3-carboxamide Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H29N3O3/c1-3-4-5-10-23-27(22-13-12-20-8-6-7-9-21(20)30-22)26(28(29)32)18(2)31(23)16-19-11-14-24-25(15-19)34-17-33-24/h6-9,11-15H,3-5,10,16-17H2,1-2H3,(H2,29,32)