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

Systemtic Name: (5-methyl-4-nitro-1,2-oxazol-3-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(5-methyl-4-nitro-isoxazol-3-yl)methanone CAS Name: (5-methyl-4-nitro-3-isoxazolyl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone Traditional Name: (4-benzylpiperazino)-(5-methyl-4-nitro-isoxazol-3-yl)methanone Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-12-15(20(22)23)14(17-24-12)16(21)19-9-7-18(8-10-19)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3