[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-phenyl-methanone

Systemtic Name: [2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-phenyl-methanone Openeye Name: [2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-phenyl-methanone CAS Name: [2-methyl-4-(8-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-phenylmethanone IUPAC Name: [2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-phenylmethanone Traditional Name: [2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]-phenyl-methanone Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

InChI

InChI=1S/C26H25N3O2/c1-18-12-13-23-21(16-18)25(27-22-10-6-7-11-24(22)31-23)28-14-15-29(19(2)17-28)26(30)20-8-4-3-5-9-20/h3-13,16,19H,14-15,17H2,1-2H3