3-(chloromethyl)-7-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-(chloromethyl)-7-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-(chloromethyl)-7-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-(chloromethyl)-7-methoxy-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-(chloromethyl)-7-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-(chloromethyl)-7-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)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)CCl

Isomeric SMILES

COC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)CCl

InChI

InChI=1S/C23H28ClN5O3/c1-31-19-5-6-21-20(15-19)22(30)29(18(16-24)17-32-21)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