5-bromanyl-3-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-3-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-3-methyl-N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]benzofuran-2-carboxamide CAS Name: 5-bromo-3-methyl-N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-3-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-3-methyl-N-[2-[4-(m-tolyl)piperazino]ethyl]coumarilamide Formula: C23H26BrN3O2 MolecularWeight: 456.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C

InChI

InChI=1S/C23H26BrN3O2/c1-16-4-3-5-19(14-16)27-12-10-26(11-13-27)9-8-25-23(28)22-17(2)20-15-18(24)6-7-21(20)29-22/h3-7,14-15H,8-13H2,1-2H3,(H,25,28)