3-bromanyl-N-[2-oxidanylidene-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-oxidanylidene-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]benzamide Openeye Name: 3-bromo-N-[2-oxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]benzamide CAS Name: 3-bromo-N-[2-oxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]ethyl]benzamide IUPAC Name: 3-bromo-N-[2-oxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]benzamide Traditional Name: 3-bromo-N-[2-keto-2-[3-[4-(2-pyrimidyl)piperazino]propylamino]ethyl]benzamide Formula: C20H25BrN6O2 MolecularWeight: 461.3555

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CNC(=O)C2=CC(=CC=C2)Br)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CNC(=O)C2=CC(=CC=C2)Br)C3=NC=CC=N3

InChI

InChI=1S/C20H25BrN6O2/c21-17-5-1-4-16(14-17)19(29)25-15-18(28)22-8-3-9-26-10-12-27(13-11-26)20-23-6-2-7-24-20/h1-2,4-7,14H,3,8-13,15H2,(H,22,28)(H,25,29)