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

Systemtic Name: 3-bromanyl-4-ethoxy-5-methoxy-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 3-bromo-4-ethoxy-5-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 3-bromo-4-ethoxy-5-methoxy-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-5-methoxy-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[6-(3-ketopiperazino)-3-pyridyl]-5-methoxy-benzamide Formula: C19H21BrN4O4 MolecularWeight: 449.29844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)OC

InChI

InChI=1S/C19H21BrN4O4/c1-3-28-18-14(20)8-12(9-15(18)27-2)19(26)23-13-4-5-16(22-10-13)24-7-6-21-17(25)11-24/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,21,25)(H,23,26)