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

Systemtic Name: 7-methyl-4-[[3-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 7-methyl-4-[[3-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 7-methyl-4-[[3-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 7-methyl-4-[[3-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 7-methyl-4-[3-[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)N(C(=O)CO2)CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5C

InChI

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