1-[2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]ethyl]-N-methylsulfonyl-cyclopropane-1-carboxamide

Systemtic Name: 1-[2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]ethyl]-N-methylsulfonyl-cyclopropane-1-carboxamide Openeye Name: 1-[2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]ethyl]-N-methylsulfonyl-cyclopropanecarboxamide CAS Name: 1-[2-[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]ethyl]-N-methylsulfonyl-1-cyclopropanecarboxamide IUPAC Name: 1-[2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]ethyl]-N-methylsulfonylcyclopropane-1-carboxamide Traditional Name: N-mesyl-1-[2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]ethyl]cyclopropanecarboxamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)CCC5(CC5)C(=O)NS(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)CCC5(CC5)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C25H30N4O5S/c1-33-18-7-8-21-19(17-18)23(26-20-5-3-4-6-22(20)34-21)29-15-13-28(14-16-29)12-11-25(9-10-25)24(30)27-35(2,31)32/h3-8,17H,9-16H2,1-2H3,(H,27,30)