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

Systemtic Name: 1-[7-[(4-ethanoylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-morpholin-4-yl-2-pyridin-3-yl-ethanone Openeye Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-morpholino-2-(3-pyridyl)ethanone CAS Name: 1-[7-[(4-acetyl-1-piperazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(4-morpholinyl)-2-(3-pyridinyl)ethanone IUPAC Name: 1-[7-[(4-acetylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone Traditional Name: 1-[7-[(4-acetylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-morpholino-2-(3-pyridyl)ethanone Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C(C4=CN=CC=C4)N5CCOCC5

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C(C4=CN=CC=C4)N5CCOCC5

InChI

InChI=1S/C27H35N5O4/c1-21(33)30-9-7-29(8-10-30)19-22-4-5-25-24(17-22)20-32(13-16-36-25)27(34)26(23-3-2-6-28-18-23)31-11-14-35-15-12-31/h2-6,17-18,26H,7-16,19-20H2,1H3