N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]benzofuran-2-carboxamide CAS Name: N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-chloro-4-(4-propionylpiperazino)phenyl]coumarilamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-2-21(27)26-11-9-25(10-12-26)18-8-7-16(14-17(18)23)24-22(28)20-13-15-5-3-4-6-19(15)29-20/h3-8,13-14H,2,9-12H2,1H3,(H,24,28)