(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(4-chlorophenyl)methanone

Systemtic Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(4-chlorophenyl)methanone Openeye Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(4-chlorophenyl)methanone CAS Name: [4-(6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-(4-chlorophenyl)methanone IUPAC Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methylpiperazin-1-yl)-(4-chlorophenyl)methanone Traditional Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazino)-(4-chlorophenyl)methanone Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C25H22ClN3O2/c1-17-16-28(14-15-29(17)25(30)18-10-12-19(26)13-11-18)24-20-6-2-4-8-22(20)31-23-9-5-3-7-21(23)27-24/h2-13,17H,14-16H2,1H3