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

Systemtic Name: 1-[7-[(4-ethanoylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(4-methylphenyl)propan-1-one Openeye Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(p-tolyl)propan-1-one CAS Name: 1-[7-[(4-acetyl-1-piperazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(4-methylphenyl)-1-propanone IUPAC Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(4-methylphenyl)propan-1-one Traditional Name: 1-[7-[(4-acetylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(p-tolyl)propan-1-one Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O3/c1-20-3-5-22(6-4-20)8-10-26(31)29-15-16-32-25-9-7-23(17-24(25)19-29)18-27-11-13-28(14-12-27)21(2)30/h3-7,9,17H,8,10-16,18-19H2,1-2H3