N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide

Systemtic Name: N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide Openeye Name: N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-(3-hydroxy-3-methyl-but-1-ynyl)benzamide CAS Name: N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide IUPAC Name: N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide Traditional Name: N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-(3-hydroxy-3-methyl-but-1-ynyl)benzamide Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=CC=C(C=C3)C#CC(C)(C)O

Isomeric SMILES

CC[C@H]1CN(CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=CC=C(C=C3)C#CC(C)(C)O

InChI

InChI=1S/C26H32N2O4/c1-5-22-18-28(17-21-16-23(31-4)10-11-24(21)32-22)15-14-27-25(29)20-8-6-19(7-9-20)12-13-26(2,3)30/h6-11,16,22,30H,5,14-15,17-18H2,1-4H3,(H,27,29)/t22-/m0/s1