N-butan-2-yl-3-cyano-1-(4-phenoxyphenyl)pyrrole-2-carboxamide

Systemtic Name: N-butan-2-yl-3-cyano-1-(4-phenoxyphenyl)pyrrole-2-carboxamide Openeye Name: 3-cyano-1-(4-phenoxyphenyl)-N-sec-butyl-pyrrole-2-carboxamide CAS Name: N-butan-2-yl-3-cyano-1-(4-phenoxyphenyl)-2-pyrrolecarboxamide IUPAC Name: N-butan-2-yl-3-cyano-1-(4-phenoxyphenyl)pyrrole-2-carboxamide Traditional Name: 3-cyano-1-(4-phenoxyphenyl)-N-sec-butyl-pyrrole-2-carboxamide Formula: C22H21N3O2 MolecularWeight: 359.42104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CN1C2=CC=C(C=C2)OC3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CN1C2=CC=C(C=C2)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H21N3O2/c1-3-16(2)24-22(26)21-17(15-23)13-14-25(21)18-9-11-20(12-10-18)27-19-7-5-4-6-8-19/h4-14,16H,3H2,1-2H3,(H,24,26)