2-(2,4-dimethylphenyl)-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3-oxazole Openeye Name: 4-[(4-benzylpiperazin-1-yl)methyl]-2-(2,4-dimethylphenyl)oxazole CAS Name: 2-(2,4-dimethylphenyl)-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]oxazole IUPAC Name: 4-[(4-benzylpiperazin-1-yl)methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole Traditional Name: 4-[(4-benzylpiperazino)methyl]-2-(2,4-dimethylphenyl)oxazole Formula: C23H27N3O MolecularWeight: 361.47998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H27N3O/c1-18-8-9-22(19(2)14-18)23-24-21(17-27-23)16-26-12-10-25(11-13-26)15-20-6-4-3-5-7-20/h3-9,14,17H,10-13,15-16H2,1-2H3