2-bromanyl-5-methoxy-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 2-bromanyl-5-methoxy-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 2-bromo-5-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 2-bromo-5-methoxy-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 2-bromo-5-methoxy-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: 2-bromo-N-[6-(3-ketopiperazino)-3-pyridyl]-5-methoxy-benzamide Formula: C17H17BrN4O3 MolecularWeight: 405.24588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C17H17BrN4O3/c1-25-12-3-4-14(18)13(8-12)17(24)21-11-2-5-15(20-9-11)22-7-6-19-16(23)10-22/h2-5,8-9H,6-7,10H2,1H3,(H,19,23)(H,21,24)