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

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]prop-2-enamide Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]prop-2-enamide CAS Name: 3-(5-bromo-2-methoxyphenyl)-N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-propenamide IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]prop-2-enamide Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]acrylamide Formula: C28H27BrClN3O3 MolecularWeight: 568.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C=CC4=C(C=CC(=C4)Br)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C=CC4=C(C=CC(=C4)Br)OC)Cl

InChI

InChI=1S/C28H27BrClN3O3/c1-19-5-3-4-6-23(19)28(35)33-15-13-32(14-16-33)25-10-9-22(18-24(25)30)31-27(34)12-7-20-17-21(29)8-11-26(20)36-2/h3-12,17-18H,13-16H2,1-2H3,(H,31,34)