2-[4-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CCO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CCO)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O3/c29-15-14-25-10-12-27(13-11-25)22-20(28(30)31)21(23-17-24-22)26-8-6-19(7-9-26)16-18-4-2-1-3-5-18/h1-5,17,19,29H,6-16H2