3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-6-(3-methylphenyl)carbonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-6-(3-methylphenyl)carbonyl-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-6-(3-methylbenzoyl)-1,3-benzoxazol-2-one CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-5-methyl-6-[(3-methylphenyl)-oxomethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-6-(3-methylbenzoyl)-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(4-fluorophenyl)piperazino]methyl]-5-methyl-6-m-toluoyl-1,3-benzoxazol-2-one Formula: C27H26FN3O3 MolecularWeight: 459.512043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=CC3=C(C=C2C)N(C(=O)O3)CN4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=CC3=C(C=C2C)N(C(=O)O3)CN4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H26FN3O3/c1-18-4-3-5-20(14-18)26(32)23-16-25-24(15-19(23)2)31(27(33)34-25)17-29-10-12-30(13-11-29)22-8-6-21(28)7-9-22/h3-9,14-16H,10-13,17H2,1-2H3