2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-N-naphthalen-2-yl-ethanamide

Systemtic Name: 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-N-(2-naphthyl)acetamide CAS Name: 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]-N-naphthalen-2-ylacetamide Traditional Name: N-(2-naphthyl)-2-[[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amino]acetamide Formula: C28H27N7O5 MolecularWeight: 541.55788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC(=O)NC5=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC(=O)NC5=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N7O5/c36-25(32-22-7-6-20-3-1-2-4-21(20)14-22)15-29-27-26(35(37)38)28(31-17-30-27)34-11-9-33(10-12-34)16-19-5-8-23-24(13-19)40-18-39-23/h1-8,13-14,17H,9-12,15-16,18H2,(H,32,36)(H,29,30,31)