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

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-6-(3-methylphenyl)carbonyl-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-6-(3-methylbenzoyl)-1,3-benzoxazol-2-one CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-5-methyl-6-[(3-methylphenyl)-oxomethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-6-(3-methylbenzoyl)-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazino]methyl]-5-methyl-6-m-toluoyl-1,3-benzoxazol-2-one Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C4=C(C=C(C(=C4)C)C(=O)C5=CC(=CC=C5)C)OC3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C4=C(C=C(C(=C4)C)C(=O)C5=CC(=CC=C5)C)OC3=O)C

InChI

InChI=1S/C29H31N3O3/c1-19-7-5-9-23(15-19)28(33)24-17-27-26(16-21(24)3)32(29(34)35-27)18-30-11-13-31(14-12-30)25-10-6-8-20(2)22(25)4/h5-10,15-17H,11-14,18H2,1-4H3