1-[[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methyl]-N-methylsulfonyl-cyclopropane-1-carboxamide

Systemtic Name: 1-[[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methyl]-N-methylsulfonyl-cyclopropane-1-carboxamide Openeye Name: 1-[[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methyl]-N-methylsulfonyl-cyclopropanecarboxamide CAS Name: 1-[[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]methyl]-N-methylsulfonyl-1-cyclopropanecarboxamide IUPAC Name: 1-[[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methyl]-N-methylsulfonylcyclopropane-1-carboxamide Traditional Name: N-mesyl-1-[[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]methyl]cyclopropanecarboxamide Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)CC5(CC5)C(=O)NS(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)CC5(CC5)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C24H28N4O5S/c1-32-17-7-8-20-18(15-17)22(25-19-5-3-4-6-21(19)33-20)28-13-11-27(12-14-28)16-24(9-10-24)23(29)26-34(2,30)31/h3-8,15H,9-14,16H2,1-2H3,(H,26,29)