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

Systemtic Name: 3-ethyl-5-methyl-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-ethyl-5-methyl-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]isoxazole-4-carboxamide CAS Name: 3-ethyl-5-methyl-N-[2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-isoxazolecarboxamide IUPAC Name: 3-ethyl-5-methyl-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-ethyl-5-methyl-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]isoxazole-4-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4)C

InChI

InChI=1S/C22H25N3O3S/c1-3-18-21(15(2)28-24-18)22(26)23-9-10-25-12-16-6-4-5-7-19(16)27-20(13-25)17-8-11-29-14-17/h4-8,11,14,20H,3,9-10,12-13H2,1-2H3,(H,23,26)