1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-4-[4-(1-pyrrolidinyl)phenyl]-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide Traditional Name: 2,5-dimethyl-1-piperonyl-4-(4-pyrrolidinophenyl)pyrrole-3-carboxamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C25H27N3O3/c1-16-23(19-6-8-20(9-7-19)27-11-3-4-12-27)24(25(26)29)17(2)28(16)14-18-5-10-21-22(13-18)31-15-30-21/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H2,26,29)