7-fluoranyl-3-methyl-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 7-fluoranyl-3-methyl-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Openeye Name: 7-fluoro-3-methyl-4-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 7-fluoro-3-methyl-4-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 7-fluoro-3-methyl-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Traditional Name: 7-fluoro-3-methyl-4-[4-[4-(m-tolyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C25H30FN3O2 MolecularWeight: 423.523003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCN3C(=COC4=C(C3=O)C=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCN3C(=COC4=C(C3=O)C=C(C=C4)F)C

InChI

InChI=1S/C25H30FN3O2/c1-19-6-5-7-22(16-19)28-14-12-27(13-15-28)10-3-4-11-29-20(2)18-31-24-9-8-21(26)17-23(24)25(29)30/h5-9,16-18H,3-4,10-15H2,1-2H3