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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-2,5-dimethyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-2,5-dimethylpyrrole-3-carboxamide Traditional Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-piperonyl-pyrrole-3-carboxamide Formula: C22H19N3O3 MolecularWeight: 373.40456

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3/c1-13-20(17-6-3-15(10-23)4-7-17)21(22(24)26)14(2)25(13)11-16-5-8-18-19(9-16)28-12-27-18/h3-9H,11-12H2,1-2H3,(H2,24,26)