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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NO1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=NO1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c1-13(2)17-16(22(24)25)15(19-26-17)18(23)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3