3-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-6-(phenylcarbonyl)-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-6-(phenylcarbonyl)-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-6-benzoyl-1,3-benzoxazol-2-one CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-6-benzoyl-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-6-benzoyl-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(4-acetylphenyl)piperazino]methyl]-6-benzoyl-1,3-benzoxazol-2-one Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)OC3=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)OC3=O

InChI

InChI=1S/C27H25N3O4/c1-19(31)20-7-10-23(11-8-20)29-15-13-28(14-16-29)18-30-24-12-9-22(17-25(24)34-27(30)33)26(32)21-5-3-2-4-6-21/h2-12,17H,13-16,18H2,1H3