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

Systemtic Name: 4-[4-[3-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)piperidin-1-yl]butyl]-8-chloranyl-3-methyl-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[3-(4-amino-5-fluoro-pyrimidin-2-yl)-1-piperidyl]butyl]-8-chloro-3-methyl-1,4-benzoxazepin-5-one CAS Name: 4-[4-[3-(4-amino-5-fluoro-2-pyrimidinyl)-1-piperidinyl]butyl]-8-chloro-3-methyl-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[3-(4-amino-5-fluoropyrimidin-2-yl)piperidin-1-yl]butyl]-8-chloro-3-methyl-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[3-(4-amino-5-fluoro-pyrimidin-2-yl)piperidino]butyl]-8-chloro-3-methyl-1,4-benzoxazepin-5-one Formula: C23H27ClFN5O2 MolecularWeight: 459.944183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCCC(C3)C4=NC=C(C(=N4)N)F

Isomeric SMILES

CC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCCC(C3)C4=NC=C(C(=N4)N)F

InChI

InChI=1S/C23H27ClFN5O2/c1-15-14-32-20-11-17(24)6-7-18(20)23(31)30(15)10-3-2-8-29-9-4-5-16(13-29)22-27-12-19(25)21(26)28-22/h6-7,11-12,14,16H,2-5,8-10,13H2,1H3,(H2,26,27,28)