1,3-benzodioxol-5-yl-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazino]methanone Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H25N3O5/c1-17-3-6-21-24(13-17)35-22-8-5-19(32-2)15-20(22)26(28-21)29-9-11-30(12-10-29)27(31)18-4-7-23-25(14-18)34-16-33-23/h3-8,13-15H,9-12,16H2,1-2H3