5-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

Systemtic Name: 5-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole Openeye Name: 5-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]-3-(4-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole IUPAC Name: 5-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-3-pyridin-4-yl-1,2,4-oxadiazole Traditional Name: 5-[4-(4-benzylpiperazino)-3-nitro-phenyl]-3-(4-pyridyl)-1,2,4-oxadiazole Formula: C24H22N6O3 MolecularWeight: 442.46988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=NC(=NO4)C5=CC=NC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=NC(=NO4)C5=CC=NC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O3/c31-30(32)22-16-20(24-26-23(27-33-24)19-8-10-25-11-9-19)6-7-21(22)29-14-12-28(13-15-29)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2