1-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

Systemtic Name: 1-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide Openeye Name: 1-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-N-(2-pyridylmethyl)pyrrole-2-carboxamide CAS Name: 1-[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]-N-(2-pyridinylmethyl)-2-pyrrolecarboxamide IUPAC Name: 1-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide Traditional Name: 1-[[[(E)-3-phenylacryloyl]amino]methyl]-N-(2-pyridylmethyl)pyrrole-2-carboxamide Formula: C21H20N4O2 MolecularWeight: 360.4091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NCN2C=CC=C2C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NCN2C=CC=C2C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H20N4O2/c26-20(12-11-17-7-2-1-3-8-17)24-16-25-14-6-10-19(25)21(27)23-15-18-9-4-5-13-22-18/h1-14H,15-16H2,(H,23,27)(H,24,26)/b12-11+