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

Systemtic Name: 4-[4-[4-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)piperazin-1-yl]butyl]-3-chloranyl-7-methoxy-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(4-amino-5-fluoro-pyrimidin-2-yl)piperazin-1-yl]butyl]-3-chloro-7-methoxy-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(4-amino-5-fluoro-2-pyrimidinyl)-1-piperazinyl]butyl]-3-chloro-7-methoxy-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(4-amino-5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-3-chloro-7-methoxy-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(4-amino-5-fluoro-pyrimidin-2-yl)piperazino]butyl]-3-chloro-7-methoxy-1,4-benzoxazepin-5-one Formula: C22H26ClFN6O3 MolecularWeight: 476.931643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=NC=C(C(=N4)N)F)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)OC=C(N(C2=O)CCCCN3CCN(CC3)C4=NC=C(C(=N4)N)F)Cl

InChI

InChI=1S/C22H26ClFN6O3/c1-32-15-4-5-18-16(12-15)21(31)30(19(23)14-33-18)7-3-2-6-28-8-10-29(11-9-28)22-26-13-17(24)20(25)27-22/h4-5,12-14H,2-3,6-11H2,1H3,(H2,25,26,27)