2-(benzotriazol-2-yl)-1-[(2R)-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone

Systemtic Name: 2-(benzotriazol-2-yl)-1-[(2R)-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-(benzotriazol-2-yl)-1-[(2R)-7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(2-benzotriazolyl)-1-[(2R)-7-methyl-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(benzotriazol-2-yl)-1-[(2R)-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(benzotriazol-2-yl)-1-[(2R)-7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN(C2)C(=O)CN3N=C4C=CC=CC4=N3)C5=CSC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](CN(C2)C(=O)CN3N=C4C=CC=CC4=N3)C5=CSC=C5

InChI

InChI=1S/C22H20N4O2S/c1-15-6-7-20-17(10-15)11-25(12-21(28-20)16-8-9-29-14-16)22(27)13-26-23-18-4-2-3-5-19(18)24-26/h2-10,14,21H,11-13H2,1H3/t21-/m0/s1