4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitro-pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-naphthyloxy)-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(2-naphthalenyloxy)-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine Traditional Name: 4-(2-naphthoxy)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C26H23N5O5 MolecularWeight: 485.49132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O5/c32-31(33)24-25(27-16-28-26(24)36-21-7-6-19-3-1-2-4-20(19)14-21)30-11-9-29(10-12-30)15-18-5-8-22-23(13-18)35-17-34-22/h1-8,13-14,16H,9-12,15,17H2