2-(4-ethanoylphenoxy)-1-[7-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone

Systemtic Name: 2-(4-ethanoylphenoxy)-1-[7-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-(4-acetylphenoxy)-1-[7-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(4-acetylphenoxy)-1-[7-[(4-acetyl-1-piperazin-1-iumyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(4-acetylphenoxy)-1-[7-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(4-acetylphenoxy)-1-[7-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C26H32N3O5+ MolecularWeight: 466.54938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCN(CC4)C(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCN(CC4)C(=O)C

InChI

InChI=1S/C26H31N3O5/c1-19(30)22-4-6-24(7-5-22)34-18-26(32)29-13-14-33-25-8-3-21(15-23(25)17-29)16-27-9-11-28(12-10-27)20(2)31/h3-8,15H,9-14,16-18H2,1-2H3/p+1