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

Systemtic Name: 2-(4-bromanylphenoxy)-N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-2-methyl-propanamide Openeye Name: 2-(4-bromophenoxy)-N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-methyl-propanamide CAS Name: 2-(4-bromophenoxy)-N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-methylpropanamide IUPAC Name: 2-(4-bromophenoxy)-N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-methylpropanamide Traditional Name: 2-(4-bromophenoxy)-N-[3-chloro-4-(4-propionylpiperazino)phenyl]-2-methyl-propionamide Formula: C23H27BrClN3O3 MolecularWeight: 508.83578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrClN3O3/c1-4-21(29)28-13-11-27(12-14-28)20-10-7-17(15-19(20)25)26-22(30)23(2,3)31-18-8-5-16(24)6-9-18/h5-10,15H,4,11-14H2,1-3H3,(H,26,30)