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

Systemtic Name: 6-methyl-4-[[4-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-methyl-4-[[4-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-methyl-4-[[4-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-methyl-4-[[4-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-methyl-4-[4-[4-(o-tolyl)piperazine-1-carbonyl]benzyl]-1,4-benzoxazin-3-one Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C28H29N3O3/c1-20-7-12-26-25(17-20)31(27(32)19-34-26)18-22-8-10-23(11-9-22)28(33)30-15-13-29(14-16-30)24-6-4-3-5-21(24)2/h3-12,17H,13-16,18-19H2,1-2H3