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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-5-ethyl-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-5-ethyl-2-methyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-5-ethyl-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-5-ethyl-2-methylpyrrole-3-carboxamide Traditional Name: 4-(4-cyanophenyl)-5-ethyl-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H21N3O3/c1-3-18-22(17-7-4-15(11-24)5-8-17)21(23(25)27)14(2)26(18)12-16-6-9-19-20(10-16)29-13-28-19/h4-10H,3,12-13H2,1-2H3,(H2,25,27)