1-[4-[[4-(1H-indol-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[4-(1H-indol-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[4-(1H-indol-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-(1H-indol-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[4-(1H-indol-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[[4-(1H-indol-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazino]ethanone Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CNC5=CC=CC=C54

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H30N4O2/c1-19(30)29-10-8-27(9-11-29)16-20-6-7-25-21(14-20)17-28(12-13-31-25)18-22-15-26-24-5-3-2-4-23(22)24/h2-7,14-15,26H,8-13,16-18H2,1H3