3-(5-bromanyl-2-methoxy-phenyl)-N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]prop-2-enamide

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]prop-2-enamide Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]prop-2-enamide CAS Name: 3-(5-bromo-2-methoxyphenyl)-N-[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-propenamide IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]prop-2-enamide Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-N-[5-chloro-2-(4-propionylpiperazino)phenyl]acrylamide Formula: C23H25BrClN3O3 MolecularWeight: 506.8199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C=CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H25BrClN3O3/c1-3-23(30)28-12-10-27(11-13-28)20-7-6-18(25)15-19(20)26-22(29)9-4-16-14-17(24)5-8-21(16)31-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29)