4-[4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1H-indole

Systemtic Name: 4-[4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1H-indole Openeye Name: 4-[4-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-1H-indole CAS Name: 4-[4-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-1-piperazinyl]-1H-indole IUPAC Name: 4-[4-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperazin-1-yl]-1H-indole Traditional Name: 4-[4-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]piperazino]-1H-indole Formula: C27H30N8O2 MolecularWeight: 498.5795

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC6=C5C=CN6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC6=C5C=CN6

InChI

InChI=1S/C27H30N8O2/c36-35(37)25-26(33-13-11-31(12-14-33)19-21-5-2-1-3-6-21)29-20-30-27(25)34-17-15-32(16-18-34)24-8-4-7-23-22(24)9-10-28-23/h1-10,20,28H,11-19H2