N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]quinoxaline-2-carboxamide Openeye Name: N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]quinoxaline-2-carboxamide CAS Name: N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]quinoxaline-2-carboxamide Traditional Name: N-[3-keto-4-[2-(2-methoxyphenyl)ethyl]-5H-1,4-benzoxazepin-7-yl]quinoxaline-2-carboxamide Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCN2CC3=C(C=CC(=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)OCC2=O

Isomeric SMILES

COC1=CC=CC=C1CCN2CC3=C(C=CC(=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)OCC2=O

InChI

InChI=1S/C27H24N4O4/c1-34-24-9-5-2-6-18(24)12-13-31-16-19-14-20(10-11-25(19)35-17-26(31)32)29-27(33)23-15-28-21-7-3-4-8-22(21)30-23/h2-11,14-15H,12-13,16-17H2,1H3,(H,29,33)