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

Systemtic Name: 4-[4-[4-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)piperidin-1-yl]butyl]-3,8-dimethyl-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(4-amino-5-fluoro-pyrimidin-2-yl)-1-piperidyl]butyl]-3,8-dimethyl-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(4-amino-5-fluoro-2-pyrimidinyl)-1-piperidinyl]butyl]-3,8-dimethyl-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(4-amino-5-fluoropyrimidin-2-yl)piperidin-1-yl]butyl]-3,8-dimethyl-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(4-amino-5-fluoro-pyrimidin-2-yl)piperidino]butyl]-3,8-dimethyl-1,4-benzoxazepin-5-one Formula: C24H30FN5O2 MolecularWeight: 439.525703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)C)CCCCN3CCC(CC3)C4=NC=C(C(=N4)N)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=CO2)C)CCCCN3CCC(CC3)C4=NC=C(C(=N4)N)F

InChI

InChI=1S/C24H30FN5O2/c1-16-5-6-19-21(13-16)32-15-17(2)30(24(19)31)10-4-3-9-29-11-7-18(8-12-29)23-27-14-20(25)22(26)28-23/h5-6,13-15,18H,3-4,7-12H2,1-2H3,(H2,26,27,28)