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

Systemtic Name: 4-[[3-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-7-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one CAS Name: 4-[[3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]benzyl]-7-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)N(C(=O)CO2)CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

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