N-(3-imidazol-1-ylpropyl)-4-(phenylcarbonyl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-(phenylcarbonyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-benzoyl-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide CAS Name: 4-benzoyl-N-[3-(1-imidazolyl)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-benzoyl-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-benzoyl-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide Formula: C18H18N4O2 MolecularWeight: 322.36112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C18H18N4O2/c23-17(14-5-2-1-3-6-14)15-11-16(21-12-15)18(24)20-7-4-9-22-10-8-19-13-22/h1-3,5-6,8,10-13,21H,4,7,9H2,(H,20,24)