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

Systemtic Name: 1-[7-[(4-ethanoylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-naphthalen-1-yl-ethanone Openeye Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1-naphthyl)ethanone CAS Name: 1-[7-[(4-acetyl-1-piperazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1-naphthalenyl)ethanone IUPAC Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-naphthalen-1-ylethanone Traditional Name: 1-[7-[(4-acetylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1-naphthyl)ethanone Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H31N3O3/c1-21(32)30-13-11-29(12-14-30)19-22-9-10-27-25(17-22)20-31(15-16-34-27)28(33)18-24-7-4-6-23-5-2-3-8-26(23)24/h2-10,17H,11-16,18-20H2,1H3