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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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