4-[[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-7-methyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-7-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one CAS Name: 4-[[4-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]benzyl]-7-methyl-1,4-benzoxazin-3-one Formula: C27H26ClN3O3 MolecularWeight: 475.96664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5Cl

InChI

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