4-methyl-7-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-methyl-7-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazin-3-one Openeye Name: 4-methyl-7-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazin-3-one CAS Name: 4-methyl-7-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazin-3-one IUPAC Name: 4-methyl-7-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazin-3-one Traditional Name: 4-methyl-7-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazin-3-one Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=CC(=C2)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C(=O)COC2=C1C=CC(=C2)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O2/c1-24-18-7-6-17(15-19(18)28-16-20(24)27)5-2-3-10-25-11-13-26(14-12-25)21-22-8-4-9-23-21/h4,6-9,15H,2-3,5,10-14,16H2,1H3