2-(4-bromanylphenoxy)-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-methyl-propanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-methyl-propanamide Openeye Name: 2-(4-bromophenoxy)-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-methyl-propanamide CAS Name: 2-(4-bromophenoxy)-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-methylpropanamide IUPAC Name: 2-(4-bromophenoxy)-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide Traditional Name: 2-(4-bromophenoxy)-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-2-methyl-propionamide Formula: C25H31BrClN3O3 MolecularWeight: 536.88894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C25H31BrClN3O3/c1-17(2)15-23(31)30-13-11-29(12-14-30)22-10-7-19(16-21(22)27)28-24(32)25(3,4)33-20-8-5-18(26)6-9-20/h5-10,16-17H,11-15H2,1-4H3,(H,28,32)