N-[7-bromanyl-3-oxidanylidene-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]quinoxalin-2-yl]pyridine-4-carboxamide

Systemtic Name: N-[7-bromanyl-3-oxidanylidene-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]quinoxalin-2-yl]pyridine-4-carboxamide Openeye Name: N-[7-bromo-3-oxo-4-[[2-(3-pyridyl)-1-piperidyl]methyl]quinoxalin-2-yl]pyridine-4-carboxamide CAS Name: N-[7-bromo-3-oxo-4-[[2-(3-pyridinyl)-1-piperidinyl]methyl]-2-quinoxalinyl]-4-pyridinecarboxamide IUPAC Name: N-[7-bromo-3-oxo-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]quinoxalin-2-yl]pyridine-4-carboxamide Traditional Name: N-[7-bromo-3-keto-4-[[2-(3-pyridyl)piperidino]methyl]quinoxalin-2-yl]isonicotinamide Formula: C25H23BrN6O2 MolecularWeight: 519.39312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)CN3C4=C(C=C(C=C4)Br)N=C(C3=O)NC(=O)C5=CC=NC=C5

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)CN3C4=C(C=C(C=C4)Br)N=C(C3=O)NC(=O)C5=CC=NC=C5

InChI

InChI=1S/C25H23BrN6O2/c26-19-6-7-22-20(14-19)29-23(30-24(33)17-8-11-27-12-9-17)25(34)32(22)16-31-13-2-1-5-21(31)18-4-3-10-28-15-18/h3-4,6-12,14-15,21H,1-2,5,13,16H2,(H,29,30,33)