5-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 5-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidine CAS Name: 5-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidine Traditional Name: 4-(4-benzylpiperazino)-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidine Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H28N6O2/c33-32(34)24-25(30-13-11-23(12-14-30)22-9-5-2-6-10-22)27-20-28-26(24)31-17-15-29(16-18-31)19-21-7-3-1-4-8-21/h1-11,20H,12-19H2