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

Systemtic Name: 2-cyclopentyl-1-[7-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 1-[7-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-cyclopentyl-ethanone CAS Name: 1-[7-[(4-acetyl-1-piperazin-1-iumyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-cyclopentylethanone IUPAC Name: 1-[7-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-cyclopentylethanone Traditional Name: 1-[7-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-cyclopentyl-ethanone Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC4CCCC4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC4CCCC4

InChI

InChI=1S/C23H33N3O3/c1-18(27)25-10-8-24(9-11-25)16-20-6-7-22-21(14-20)17-26(12-13-29-22)23(28)15-19-4-2-3-5-19/h6-7,14,19H,2-5,8-13,15-17H2,1H3/p+1