1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCCN(CC4)C(=O)CC5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCCN(CC4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C26H27N3O3S/c1-18-6-9-22-24(15-18)32-23-16-19(31-2)7-8-21(23)26(27-22)29-11-4-10-28(12-13-29)25(30)17-20-5-3-14-33-20/h3,5-9,14-16H,4,10-13,17H2,1-2H3