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

Systemtic Name: 1,3-benzodioxol-5-yl-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[2-methyl-4-(8-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]methanone Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5OC6=C4C=C(C=C6)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5OC6=C4C=C(C=C6)C

InChI

InChI=1S/C27H25N3O4/c1-17-7-9-22-20(13-17)26(28-21-5-3-4-6-23(21)34-22)29-11-12-30(18(2)15-29)27(31)19-8-10-24-25(14-19)33-16-32-24/h3-10,13-14,18H,11-12,15-16H2,1-2H3