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

Systemtic Name: 4-[4-[3-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)piperidin-1-yl]butyl]-3-(chloromethyl)-8-methoxy-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[3-(4-amino-5-fluoro-pyrimidin-2-yl)-1-piperidyl]butyl]-3-(chloromethyl)-8-methoxy-1,4-benzoxazepin-5-one CAS Name: 4-[4-[3-(4-amino-5-fluoro-2-pyrimidinyl)-1-piperidinyl]butyl]-3-(chloromethyl)-8-methoxy-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[3-(4-amino-5-fluoropyrimidin-2-yl)piperidin-1-yl]butyl]-3-(chloromethyl)-8-methoxy-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[3-(4-amino-5-fluoro-pyrimidin-2-yl)piperidino]butyl]-3-(chloromethyl)-8-methoxy-1,4-benzoxazepin-5-one Formula: C24H29ClFN5O3 MolecularWeight: 489.970163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCCC(C3)C4=NC=C(C(=N4)N)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=CO2)CCl)CCCCN3CCCC(C3)C4=NC=C(C(=N4)N)F

InChI

InChI=1S/C24H29ClFN5O3/c1-33-18-6-7-19-21(11-18)34-15-17(12-25)31(24(19)32)10-3-2-8-30-9-4-5-16(14-30)23-28-13-20(26)22(27)29-23/h6-7,11,13,15-16H,2-5,8-10,12,14H2,1H3,(H2,27,28,29)