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

Systemtic Name: (4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone Openeye Name: (4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone CAS Name: [4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: (4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone Traditional Name: (4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-(3,5-dimethoxyphenyl)methanone Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53)OC

InChI

InChI=1S/C26H25N3O4/c1-31-19-15-18(16-20(17-19)32-2)26(30)29-13-11-28(12-14-29)25-21-7-3-5-9-23(21)33-24-10-6-4-8-22(24)27-25/h3-10,15-17H,11-14H2,1-2H3