3-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-5-carboxamide Openeye Name: 3-(p-tolyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoxazole-5-carboxamide CAS Name: 3-(4-methylphenyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-5-isoxazolecarboxamide IUPAC Name: 3-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-5-carboxamide Traditional Name: 3-(p-tolyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]isoxazole-5-carboxamide Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H26N6O2/c1-17-4-6-18(7-5-17)19-16-20(30-26-19)21(29)23-10-3-11-27-12-14-28(15-13-27)22-24-8-2-9-25-22/h2,4-9,16H,3,10-15H2,1H3,(H,23,29)