N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide

Systemtic Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C27H25N7O5 MolecularWeight: 527.5313

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC(=O)C5=CC=CC6=CC=CC=C65)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC(=O)C5=CC=CC6=CC=CC=C65)[N+](=O)[O-]

InChI

InChI=1S/C27H25N7O5/c35-27(21-7-3-5-19-4-1-2-6-20(19)21)31-30-25-24(34(36)37)26(29-16-28-25)33-12-10-32(11-13-33)15-18-8-9-22-23(14-18)39-17-38-22/h1-9,14,16H,10-13,15,17H2,(H,31,35)(H,28,29,30)