1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone

Systemtic Name: 1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 1-[7-(3-chlorophenyl)-9-(3-thienylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-[7-(3-chlorophenyl)-9-(3-thiophenylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 1-[7-(3-chlorophenyl)-9-(3-thenyloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3=CSC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3=CSC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H20ClNO3S/c1-15(25)24-6-7-26-22-19(12-24)9-18(17-3-2-4-20(23)10-17)11-21(22)27-13-16-5-8-28-14-16/h2-5,8-11,14H,6-7,12-13H2,1H3