(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(3,5-dimethoxyphenyl)methanone

Systemtic Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(3,5-dimethoxyphenyl)methanone Openeye Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(3,5-dimethoxyphenyl)methanone CAS Name: [4-(6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone Traditional Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazino)-(3,5-dimethoxyphenyl)methanone Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4/c1-18-17-29(12-13-30(18)27(31)19-14-20(32-2)16-21(15-19)33-3)26-22-8-4-6-10-24(22)34-25-11-7-5-9-23(25)28-26/h4-11,14-16,18H,12-13,17H2,1-3H3