[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-phenyl-methanone

Systemtic Name: [4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-(2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-phenyl-methanone Formula: C26H25N3O2 MolecularWeight: 411.4956

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2/c1-19-12-13-22-24(18-19)31-23-11-6-5-10-21(23)25(27-22)28-14-7-15-29(17-16-28)26(30)20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17H2,1H3