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

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-N-[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]prop-2-enamide Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]prop-2-enamide CAS Name: 3-(5-bromo-2-methoxyphenyl)-N-[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-propenamide IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]prop-2-enamide Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-N-[4-[4-(4-chlorobenzoyl)piperazino]phenyl]acrylamide Formula: C27H25BrClN3O3 MolecularWeight: 554.8627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25BrClN3O3/c1-35-25-12-5-21(28)18-20(25)4-13-26(33)30-23-8-10-24(11-9-23)31-14-16-32(17-15-31)27(34)19-2-6-22(29)7-3-19/h2-13,18H,14-17H2,1H3,(H,30,33)