[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [5-[(2,5-dimethylphenoxy)methyl]isoxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-[(2,5-dimethylphenoxy)methyl]-3-isoxazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [5-[(2,5-dimethylphenoxy)methyl]isoxazol-3-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H23N5O3 MolecularWeight: 393.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=CC(=NO2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=CC(=NO2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5O3/c1-15-4-5-16(2)19(12-15)28-14-17-13-18(24-29-17)20(27)25-8-10-26(11-9-25)21-22-6-3-7-23-21/h3-7,12-13H,8-11,14H2,1-2H3