5-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]furan-2-carboxamide

Systemtic Name: 5-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]furan-2-carboxamide Openeye Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]furan-2-carboxamide CAS Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-furancarboxamide IUPAC Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]furan-2-carboxamide Traditional Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-furamide Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(O1)C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(O1)C(=O)NCCN2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4)O

InChI

InChI=1S/C27H28N2O4/c1-27(2,31)15-14-22-12-13-24(32-22)26(30)28-16-17-29-18-21-10-6-7-11-23(21)33-25(19-29)20-8-4-3-5-9-20/h3-13,25,31H,16-19H2,1-2H3,(H,28,30)/t25-/m1/s1