(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(2-chloranylpyridin-3-yl)methanone

Systemtic Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(2-chloranylpyridin-3-yl)methanone Openeye Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(2-chloro-3-pyridyl)methanone CAS Name: [4-(6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-(2-chloro-3-pyridinyl)methanone IUPAC Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methylpiperazin-1-yl)-(2-chloropyridin-3-yl)methanone Traditional Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazino)-(2-chloro-3-pyridyl)methanone Formula: C24H21ClN4O2 MolecularWeight: 432.90214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN4O2/c1-16-15-28(13-14-29(16)24(30)18-8-6-12-26-22(18)25)23-17-7-2-4-10-20(17)31-21-11-5-3-9-19(21)27-23/h2-12,16H,13-15H2,1H3