(5E)-3-bromanyl-5-[1-nitroso-2-[4-(phenylmethyl)piperidin-1-yl]propylidene]-2H-1,2-oxazole

Systemtic Name: (5E)-3-bromanyl-5-[1-nitroso-2-[4-(phenylmethyl)piperidin-1-yl]propylidene]-2H-1,2-oxazole Openeye Name: (5E)-5-[2-(4-benzyl-1-piperidyl)-1-nitroso-propylidene]-3-bromo-2H-isoxazole CAS Name: (5E)-3-bromo-5-[1-nitroso-2-[4-(phenylmethyl)-1-piperidinyl]propylidene]-2H-isoxazole IUPAC Name: (5E)-5-[2-(4-benzylpiperidin-1-yl)-1-nitrosopropylidene]-3-bromo-2H-1,2-oxazole Traditional Name: (5E)-5-[2-(4-benzylpiperidino)-1-nitroso-propylidene]-3-bromo-3-isoxazoline Formula: C18H22BrN3O2 MolecularWeight: 392.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C1C=C(NO1)Br)N=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(/C(=C\1/C=C(NO1)Br)/N=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22BrN3O2/c1-13(18(20-23)16-12-17(19)21-24-16)22-9-7-15(8-10-22)11-14-5-3-2-4-6-14/h2-6,12-13,15,21H,7-11H2,1H3/b18-16+