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

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]quinoxaline-2-carboxamide Openeye Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]quinoxaline-2-carboxamide CAS Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]quinoxaline-2-carboxamide Traditional Name: N-[4-(4-chlorobenzyl)-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl]quinoxaline-2-carboxamide Formula: C27H23ClN4O3 MolecularWeight: 486.94952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H23ClN4O3/c1-2-24-27(34)32(15-17-7-9-19(28)10-8-17)16-18-13-20(11-12-25(18)35-24)30-26(33)23-14-29-21-5-3-4-6-22(21)31-23/h3-14,24H,2,15-16H2,1H3,(H,30,33)