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

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[3-chloro-4-(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)NC(=O)C=CC3=C(C=CC(=C3)Br)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrClN3O3/c1-3-23(30)28-12-10-27(11-13-28)20-7-6-18(15-19(20)25)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)/b9-4+