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

Systemtic Name: 3-bromanyl-5-methoxy-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4-propoxy-benzamide Openeye Name: 3-bromo-5-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-4-propoxy-benzamide CAS Name: 3-bromo-5-methoxy-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-propoxybenzamide IUPAC Name: 3-bromo-5-methoxy-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[6-(3-ketopiperazino)-3-pyridyl]-5-methoxy-4-propoxy-benzamide Formula: C20H23BrN4O4 MolecularWeight: 463.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)OC

InChI

InChI=1S/C20H23BrN4O4/c1-3-8-29-19-15(21)9-13(10-16(19)28-2)20(27)24-14-4-5-17(23-11-14)25-7-6-22-18(26)12-25/h4-5,9-11H,3,6-8,12H2,1-2H3,(H,22,26)(H,24,27)