3-(chloromethyl)-8-methyl-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-(chloromethyl)-8-methyl-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-8-methyl-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-8-methyl-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-8-methyl-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-8-methyl-4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C24H29ClN4O2 MolecularWeight: 440.96566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H29ClN4O2/c1-19-7-8-21-22(16-19)31-18-20(17-25)29(24(21)30)11-5-4-10-27-12-14-28(15-13-27)23-6-2-3-9-26-23/h2-3,6-9,16,18H,4-5,10-15,17H2,1H3