(E)-3-(3-bromophenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(3-bromophenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(3-bromophenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(3-bromophenyl)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3-bromophenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(3-bromophenyl)-N-[4-(3-ketopiperazino)benzyl]acrylamide Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN3O2/c21-17-3-1-2-15(12-17)6-9-19(25)23-13-16-4-7-18(8-5-16)24-11-10-22-20(26)14-24/h1-9,12H,10-11,13-14H2,(H,22,26)(H,23,25)/b9-6+