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

Systemtic Name: 1-[7-[(4-ethanoylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methoxyphenyl)propan-1-one Openeye Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methoxyphenyl)propan-1-one CAS Name: 1-[7-[(4-acetyl-1-piperazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methoxyphenyl)-1-propanone IUPAC Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methoxyphenyl)propan-1-one Traditional Name: 1-[7-[(4-acetylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methoxyphenyl)propan-1-one Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=CC(=CC=C4)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H33N3O4/c1-20(30)28-12-10-27(11-13-28)18-22-6-8-25-23(16-22)19-29(14-15-33-25)26(31)9-7-21-4-3-5-24(17-21)32-2/h3-6,8,16-17H,7,9-15,18-19H2,1-2H3