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

Systemtic Name: 1-[7-[(4-ethanoylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-methyl-pentan-1-one Openeye Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-methyl-pentan-1-one CAS Name: 1-[7-[(4-acetyl-1-piperazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-methyl-1-pentanone IUPAC Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-methylpentan-1-one Traditional Name: 1-[7-[(4-acetylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-methyl-pentan-1-one Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)N1CCOC2=C(C1)C=C(C=C2)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCC(C)CC(=O)N1CCOC2=C(C1)C=C(C=C2)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H33N3O3/c1-4-17(2)13-22(27)25-11-12-28-21-6-5-19(14-20(21)16-25)15-23-7-9-24(10-8-23)18(3)26/h5-6,14,17H,4,7-13,15-16H2,1-3H3