4-[(3-chlorophenyl)methyl]-6-fluoranyl-2,2-dimethyl-8-piperazin-1-yl-1,4-benzoxazin-3-one

Systemtic Name: 4-[(3-chlorophenyl)methyl]-6-fluoranyl-2,2-dimethyl-8-piperazin-1-yl-1,4-benzoxazin-3-one Openeye Name: 4-[(3-chlorophenyl)methyl]-6-fluoro-2,2-dimethyl-8-piperazin-1-yl-1,4-benzoxazin-3-one CAS Name: 4-[(3-chlorophenyl)methyl]-6-fluoro-2,2-dimethyl-8-(1-piperazinyl)-1,4-benzoxazin-3-one IUPAC Name: 4-[(3-chlorophenyl)methyl]-6-fluoro-2,2-dimethyl-8-piperazin-1-yl-1,4-benzoxazin-3-one Traditional Name: 4-(3-chlorobenzyl)-6-fluoro-2,2-dimethyl-8-piperazino-1,4-benzoxazin-3-one Formula: C21H23ClFN3O2 MolecularWeight: 403.877623

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=CC(=CC(=C2O1)N3CCNCC3)F)CC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1(C(=O)N(C2=CC(=CC(=C2O1)N3CCNCC3)F)CC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C21H23ClFN3O2/c1-21(2)20(27)26(13-14-4-3-5-15(22)10-14)18-12-16(23)11-17(19(18)28-21)25-8-6-24-7-9-25/h3-5,10-12,24H,6-9,13H2,1-2H3