3-(3-nitrophenyl)-5-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1,2-oxazole

Systemtic Name: 3-(3-nitrophenyl)-5-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1,2-oxazole Openeye Name: 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(3-nitrophenyl)isoxazole CAS Name: 3-(3-nitrophenyl)-5-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]isoxazole IUPAC Name: 5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(3-nitrophenyl)-1,2-oxazole Traditional Name: 5-[3-(4-benzylpiperazino)propyl]-3-(3-nitrophenyl)isoxazole Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCC2=CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3/c28-27(29)21-9-4-8-20(16-21)23-17-22(30-24-23)10-5-11-25-12-14-26(15-13-25)18-19-6-2-1-3-7-19/h1-4,6-9,16-17H,5,10-15,18H2