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

Systemtic Name: 1-[7-[(4-ethanoylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-methylphenyl)ethanone Openeye Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(m-tolyl)ethanone CAS Name: 1-[7-[(4-acetyl-1-piperazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-methylphenyl)ethanone IUPAC Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-methylphenyl)ethanone Traditional Name: 1-[7-[(4-acetylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(m-tolyl)ethanone Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C(=O)C

InChI

InChI=1S/C25H31N3O3/c1-19-4-3-5-21(14-19)16-25(30)28-12-13-31-24-7-6-22(15-23(24)18-28)17-26-8-10-27(11-9-26)20(2)29/h3-7,14-15H,8-13,16-18H2,1-2H3