1-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-thiophen-3-yl-ethanone

Systemtic Name: 1-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-thiophen-3-yl-ethanone Openeye Name: 1-[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thienyl)ethanone CAS Name: 1-[9-methoxy-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-thiophen-3-ylethanone Traditional Name: 1-[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thienyl)ethanone Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3=CSC=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3=CSC=C3)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C25H22N2O3S/c1-29-23-13-19(20-11-18-4-2-3-5-22(18)26-14-20)12-21-15-27(7-8-30-25(21)23)24(28)10-17-6-9-31-16-17/h2-6,9,11-14,16H,7-8,10,15H2,1H3