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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-quinolin-2-yl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(2-quinolyl)pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(2-quinolinyl)-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide Traditional Name: 5-butyl-2-methyl-1-piperonyl-4-(2-quinolyl)pyrrole-3-carboxamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H27N3O3/c1-3-4-9-22-26(21-12-11-19-7-5-6-8-20(19)29-21)25(27(28)31)17(2)30(22)15-18-10-13-23-24(14-18)33-16-32-23/h5-8,10-14H,3-4,9,15-16H2,1-2H3,(H2,28,31)