(E)-3-(2-bromophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]prop-2-enamide

Systemtic Name: (E)-3-(2-bromophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]prop-2-enamide Openeye Name: (E)-3-(2-bromophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]prop-2-enamide CAS Name: (E)-3-(2-bromophenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-propenamide IUPAC Name: (E)-3-(2-bromophenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]prop-2-enamide Traditional Name: (E)-3-(2-bromophenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]acrylamide Formula: C18H17BrN4O2 MolecularWeight: 401.25718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C=CC3=CC=CC=C3Br

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3Br

InChI

InChI=1S/C18H17BrN4O2/c19-15-4-2-1-3-13(15)5-8-17(24)22-14-6-7-16(21-11-14)23-10-9-20-18(25)12-23/h1-8,11H,9-10,12H2,(H,20,25)(H,22,24)/b8-5+