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

Systemtic Name: 5-ethyl-N-[2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-ethyl-N-[2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]isoxazole-3-carboxamide CAS Name: 5-ethyl-N-[2-[(2S)-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-ethyl-N-[2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-ethyl-N-[2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]isoxazole-3-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NO1)C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4

Isomeric SMILES

CCC1=CC(=NO1)C(=O)NCCN2C[C@@H](OC3=CC=CC=C3C2)C4=CSC=C4

InChI

InChI=1S/C21H23N3O3S/c1-2-17-11-18(23-27-17)21(25)22-8-9-24-12-15-5-3-4-6-19(15)26-20(13-24)16-7-10-28-14-16/h3-7,10-11,14,20H,2,8-9,12-13H2,1H3,(H,22,25)/t20-/m1/s1