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

Systemtic Name: 4-[[3-[4-(2-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-6-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-6-methyl-1,4-benzoxazin-3-one CAS Name: 4-[[3-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-6-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-6-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]benzyl]-6-methyl-1,4-benzoxazin-3-one Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H26ClN3O3/c1-19-9-10-25-24(15-19)31(26(32)18-34-25)17-20-5-4-6-21(16-20)27(33)30-13-11-29(12-14-30)23-8-3-2-7-22(23)28/h2-10,15-16H,11-14,17-18H2,1H3