(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (5-isopropyl-3-methyl-isoxazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (3-methyl-5-propan-2-yl-4-isoxazolyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-isopropyl-3-methyl-isoxazol-4-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C18H22N4O4 MolecularWeight: 358.39168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H22N4O4/c1-12(2)17-16(13(3)19-26-17)18(23)21-10-8-20(9-11-21)14-4-6-15(7-5-14)22(24)25/h4-7,12H,8-11H2,1-3H3