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

Systemtic Name: 3-(3-nitrophenyl)-5-[4-[4-(phenylmethyl)piperazin-1-yl]butyl]-1,2-oxazole Openeye Name: 5-[4-(4-benzylpiperazin-1-yl)butyl]-3-(3-nitrophenyl)isoxazole CAS Name: 3-(3-nitrophenyl)-5-[4-[4-(phenylmethyl)-1-piperazinyl]butyl]isoxazole IUPAC Name: 5-[4-(4-benzylpiperazin-1-yl)butyl]-3-(3-nitrophenyl)-1,2-oxazole Traditional Name: 5-[4-(4-benzylpiperazino)butyl]-3-(3-nitrophenyl)isoxazole Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCCC2=CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c29-28(30)22-10-6-9-21(17-22)24-18-23(31-25-24)11-4-5-12-26-13-15-27(16-14-26)19-20-7-2-1-3-8-20/h1-3,6-10,17-18H,4-5,11-16,19H2