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

Systemtic Name: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c27-20-18-6-1-2-7-19(18)28-17-16-25(20)11-4-3-10-24-12-14-26(15-13-24)21-22-8-5-9-23-21/h1-2,5-9,16-17H,3-4,10-15H2