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

Systemtic Name: 3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-methyl-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-methyl-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=COC2=CC=CC=C2C(=O)N1CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O2/c1-18-17-29-20-8-3-2-7-19(20)21(28)27(18)12-5-4-11-25-13-15-26(16-14-25)22-23-9-6-10-24-22/h2-3,6-10,17H,4-5,11-16H2,1H3