N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(4-cyanobenzyl)piperazino]propionamide Formula: C21H22BrFN4O MolecularWeight: 445.327983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFN4O/c1-15(21(28)25-20-7-6-18(22)12-19(20)23)27-10-8-26(9-11-27)14-17-4-2-16(13-24)3-5-17/h2-7,12,15H,8-11,14H2,1H3,(H,25,28)