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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-4-(4-cyanophenyl)-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-4-(4-cyanophenyl)-2-methyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-4-(4-cyanophenyl)-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-4-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide Traditional Name: 5-butyl-4-(4-cyanophenyl)-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C25H25N3O3 MolecularWeight: 415.4843

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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=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/c1-3-4-5-20-24(19-9-6-17(13-26)7-10-19)23(25(27)29)16(2)28(20)14-18-8-11-21-22(12-18)31-15-30-21/h6-12H,3-5,14-15H2,1-2H3,(H2,27,29)