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

Systemtic Name: 3-(chloromethyl)-8-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-8-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-8-methoxy-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-8-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-8-methoxy-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C23H28ClN5O3 MolecularWeight: 457.95312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H28ClN5O3/c1-31-19-5-6-20-21(15-19)32-17-18(16-24)29(22(20)30)10-3-2-9-27-11-13-28(14-12-27)23-25-7-4-8-26-23/h4-8,15,17H,2-3,9-14,16H2,1H3