N-(4-bromophenyl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(4-bromophenyl)-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide CAS Name: N-(4-bromophenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(4-bromophenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(4-bromophenyl)-2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]propionamide Formula: C21H25BrFN3O2 MolecularWeight: 450.344503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25BrFN3O2/c1-15(21(27)24-18-6-4-17(22)5-7-18)26-11-9-25(10-12-26)14-16-3-8-20(28-2)19(23)13-16/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,27)