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

Systemtic Name: 6-ethanoyl-4-[[3-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-[[3-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[[3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-[[3-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-[3-(4-benzylpiperazine-1-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O4/c1-21(33)24-10-11-27-26(17-24)32(28(34)20-36-27)19-23-8-5-9-25(16-23)29(35)31-14-12-30(13-15-31)18-22-6-3-2-4-7-22/h2-11,16-17H,12-15,18-20H2,1H3