2-methoxy-1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-methoxy-1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-methoxy-1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-methoxy-1-[4-(2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-methoxy-1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-methoxy-1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]ethanone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCCN(CC4)C(=O)COC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCCN(CC4)C(=O)COC

InChI

InChI=1S/C22H25N3O3/c1-16-8-9-18-20(14-16)28-19-7-4-3-6-17(19)22(23-18)25-11-5-10-24(12-13-25)21(26)15-27-2/h3-4,6-9,14H,5,10-13,15H2,1-2H3