4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-benzylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C28H32N6O4 MolecularWeight: 516.59148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C28H32N6O4/c35-34(36)26-27(32-10-8-22(9-11-32)16-21-4-2-1-3-5-21)29-19-30-28(26)33-14-12-31(13-15-33)18-23-6-7-24-25(17-23)38-20-37-24/h1-7,17,19,22H,8-16,18,20H2