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

Systemtic Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(1,3-benzodioxol-5-yl)methanone Openeye Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-(1,3-benzodioxol-5-yl)methanone CAS Name: [4-(6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methylpiperazin-1-yl)-(1,3-benzodioxol-5-yl)methanone Traditional Name: (4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazino)-(1,3-benzodioxol-5-yl)methanone Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5OC6=CC=CC=C64

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5OC6=CC=CC=C64

InChI

InChI=1S/C26H23N3O4/c1-17-15-28(12-13-29(17)26(30)18-10-11-23-24(14-18)32-16-31-23)25-19-6-2-4-8-21(19)33-22-9-5-3-7-20(22)27-25/h2-11,14,17H,12-13,15-16H2,1H3