4-[4-[4-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one

Systemtic Name: 4-[4-[4-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(4-amino-5-fluoro-pyrimidin-2-yl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(4-amino-5-fluoro-2-pyrimidinyl)-1-piperazinyl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(4-amino-5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(4-amino-5-fluoro-pyrimidin-2-yl)piperazino]butyl]-3,7-dimethyl-1,4-benzoxazepin-5-one Formula: C23H29FN6O2 MolecularWeight: 440.513763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=NC=C(C(=N4)N)F)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=NC=C(C(=N4)N)F)C

InChI

InChI=1S/C23H29FN6O2/c1-16-5-6-20-18(13-16)22(31)30(17(2)15-32-20)8-4-3-7-28-9-11-29(12-10-28)23-26-14-19(24)21(25)27-23/h5-6,13-15H,3-4,7-12H2,1-2H3,(H2,25,26,27)