4-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 4-[[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]benzyl]-1,4-benzoxazin-3-one Formula: C26H24ClN3O3 MolecularWeight: 461.94006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)CN4C(=O)COC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)CN4C(=O)COC5=CC=CC=C54

InChI

InChI=1S/C26H24ClN3O3/c27-21-4-3-5-22(16-21)28-12-14-29(15-13-28)26(32)20-10-8-19(9-11-20)17-30-23-6-1-2-7-24(23)33-18-25(30)31/h1-11,16H,12-15,17-18H2