4-[4-[4-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)piperazin-1-yl]butyl]-8-chloranyl-3-methyl-1,4-benzoxazepin-5-one

Systemtic Name: 4-[4-[4-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)piperazin-1-yl]butyl]-8-chloranyl-3-methyl-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(4-amino-5-fluoro-pyrimidin-2-yl)piperazin-1-yl]butyl]-8-chloro-3-methyl-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(4-amino-5-fluoro-2-pyrimidinyl)-1-piperazinyl]butyl]-8-chloro-3-methyl-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(4-amino-5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-8-chloro-3-methyl-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(4-amino-5-fluoro-pyrimidin-2-yl)piperazino]butyl]-8-chloro-3-methyl-1,4-benzoxazepin-5-one Formula: C22H26ClFN6O2 MolecularWeight: 460.932243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCN(CC3)C4=NC=C(C(=N4)N)F

Isomeric SMILES

CC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCN(CC3)C4=NC=C(C(=N4)N)F

InChI

InChI=1S/C22H26ClFN6O2/c1-15-14-32-19-12-16(23)4-5-17(19)21(31)30(15)7-3-2-6-28-8-10-29(11-9-28)22-26-13-18(24)20(25)27-22/h4-5,12-14H,2-3,6-11H2,1H3,(H2,25,26,27)