4-(3-nitrophenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-pyridin-4-yl-pyrimidine

Systemtic Name: 4-(3-nitrophenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-pyridin-4-yl-pyrimidine Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(3-nitrophenyl)-6-(4-pyridyl)pyrimidine CAS Name: 4-(3-nitrophenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-6-pyridin-4-ylpyrimidine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(3-nitrophenyl)-6-pyridin-4-ylpyrimidine Traditional Name: 2-(4-benzylpiperazino)-4-(3-nitrophenyl)-6-(4-pyridyl)pyrimidine Formula: C26H24N6O2 MolecularWeight: 452.50776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=CC(=N3)C4=CC=NC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=CC(=N3)C4=CC=NC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N6O2/c33-32(34)23-8-4-7-22(17-23)25-18-24(21-9-11-27-12-10-21)28-26(29-25)31-15-13-30(14-16-31)19-20-5-2-1-3-6-20/h1-12,17-18H,13-16,19H2