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

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

Systemtic Name:3-(chloromethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one
Openeye Name:3-(chloromethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one
CAS Name:3-(chloromethyl)-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one
IUPAC Name:3-(chloromethyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one
Traditional Name:3-(chloromethyl)-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one
Formula: C22H26ClN5O2
MolecularWeight: 427.92714
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=COC3=CC=CC=C3C2=O)CCl)C4=NC=CC=N4


Isomeric SMILES

C1CN(CCN1CCCCN2C(=COC3=CC=CC=C3C2=O)CCl)C4=NC=CC=N4


InChI

InChI=1S/C22H26ClN5O2/c23-16-18-17-30-20-7-2-1-6-19(20)21(29)28(18)11-4-3-10-26-12-14-27(15-13-26)22-24-8-5-9-25-22/h1-2,5-9,17H,3-4,10-16H2


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