N-[[4-(1H-imidazol-5-ylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenyl-cyclopropanecarboxamide

Systemtic Name: N-[[4-(1H-imidazol-5-ylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenyl-cyclopropanecarboxamide Openeye Name: N-[[4-(1H-imidazol-5-ylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenyl-cyclopropanecarboxamide CAS Name: N-[[4-(1H-imidazol-5-ylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenylcyclopropanecarboxamide IUPAC Name: N-[[4-(1H-imidazol-5-ylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenylcyclopropanecarboxamide Traditional Name: N-[[4-(1H-imidazol-5-ylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenyl-cyclopropanecarboxamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)C4=CN=CN4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N(CC2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)C4=CN=CN4)C5=CC=CC=C5

InChI

InChI=1S/C23H24N4O4S/c28-23(18-7-8-18)27(20-4-2-1-3-5-20)14-17-6-9-21-19(12-17)15-26(10-11-31-21)32(29,30)22-13-24-16-25-22/h1-6,9,12-13,16,18H,7-8,10-11,14-15H2,(H,24,25)