(2E)-4-[(2-fluorophenyl)methyl]-2-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]methylidene]-1,4-benzoxazin-3-one

Systemtic Name: (2E)-4-[(2-fluorophenyl)methyl]-2-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]methylidene]-1,4-benzoxazin-3-one Openeye Name: (2E)-4-[(2-fluorophenyl)methyl]-2-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methylene]-1,4-benzoxazin-3-one CAS Name: (2E)-4-[(2-fluorophenyl)methyl]-2-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]methylidene]-1,4-benzoxazin-3-one IUPAC Name: (2E)-4-[(2-fluorophenyl)methyl]-2-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methylidene]-1,4-benzoxazin-3-one Traditional Name: (2E)-4-(2-fluorobenzyl)-2-[4-(4-phenylpiperazine-1-carbonyl)benzylidene]-1,4-benzoxazin-3-one Formula: C33H28FN3O3 MolecularWeight: 533.592123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C=C4C(=O)N(C5=CC=CC=C5O4)CC6=CC=CC=C6F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)/C=C/4\C(=O)N(C5=CC=CC=C5O4)CC6=CC=CC=C6F

InChI

InChI=1S/C33H28FN3O3/c34-28-11-5-4-8-26(28)23-37-29-12-6-7-13-30(29)40-31(33(37)39)22-24-14-16-25(17-15-24)32(38)36-20-18-35(19-21-36)27-9-2-1-3-10-27/h1-17,22H,18-21,23H2/b31-22+