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

Systemtic Name: 4-[4-[4-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)piperidin-1-yl]butyl]-8-methoxy-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(4-amino-5-fluoro-pyrimidin-2-yl)-1-piperidyl]butyl]-8-methoxy-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(4-amino-5-fluoro-2-pyrimidinyl)-1-piperidinyl]butyl]-8-methoxy-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(4-amino-5-fluoropyrimidin-2-yl)piperidin-1-yl]butyl]-8-methoxy-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(4-amino-5-fluoro-pyrimidin-2-yl)piperidino]butyl]-8-methoxy-1,4-benzoxazepin-5-one Formula: C23H28FN5O3 MolecularWeight: 441.498523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C=CO2)CCCCN3CCC(CC3)C4=NC=C(C(=N4)N)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C=CO2)CCCCN3CCC(CC3)C4=NC=C(C(=N4)N)F

InChI

InChI=1S/C23H28FN5O3/c1-31-17-4-5-18-20(14-17)32-13-12-29(23(18)30)9-3-2-8-28-10-6-16(7-11-28)22-26-15-19(24)21(25)27-22/h4-5,12-16H,2-3,6-11H2,1H3,(H2,25,26,27)