5-methyl-3-phenyl-N-[2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 5-methyl-3-phenyl-N-[2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-[2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]isoxazole-4-carboxamide CAS Name: 5-methyl-3-phenyl-N-[2-[(2S)-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-[2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-[2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]isoxazole-4-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCN3C[C@@H](OC4=CC=CC=C4C3)C5=CSC=C5

InChI

InChI=1S/C26H25N3O3S/c1-18-24(25(28-32-18)19-7-3-2-4-8-19)26(30)27-12-13-29-15-20-9-5-6-10-22(20)31-23(16-29)21-11-14-33-17-21/h2-11,14,17,23H,12-13,15-16H2,1H3,(H,27,30)/t23-/m1/s1