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

Systemtic Name: 6-methyl-4-[[3-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[3-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6-methyl-1,4-benzoxazin-3-one CAS Name: 6-methyl-4-[[3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-6-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[3-(4-benzylpiperazine-1-carbonyl)benzyl]-6-methyl-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=CC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c1-21-10-11-26-25(16-21)31(27(32)20-34-26)19-23-8-5-9-24(17-23)28(33)30-14-12-29(13-15-30)18-22-6-3-2-4-7-22/h2-11,16-17H,12-15,18-20H2,1H3