1-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]benzimidazole

Systemtic Name: 1-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]benzimidazole Openeye Name: 1-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]benzimidazole CAS Name: 1-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]benzimidazole IUPAC Name: 1-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]benzimidazole Traditional Name: 1-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]benzimidazole Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

InChI

InChI=1S/C23H22N6O2/c30-29(31)21-22(27-12-10-18(11-13-27)14-17-6-2-1-3-7-17)24-15-25-23(21)28-16-26-19-8-4-5-9-20(19)28/h1-9,15-16,18H,10-14H2