4-bromanyl-3,5-dimethoxy-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: 4-bromo-N-[6-(3-ketopiperazino)-3-pyridyl]-3,5-dimethoxy-benzamide Formula: C18H19BrN4O4 MolecularWeight: 435.27186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C18H19BrN4O4/c1-26-13-7-11(8-14(27-2)17(13)19)18(25)22-12-3-4-15(21-9-12)23-6-5-20-16(24)10-23/h3-4,7-9H,5-6,10H2,1-2H3,(H,20,24)(H,22,25)