1-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C27H24N8O2 MolecularWeight: 492.53186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H24N8O2/c36-35(37)25-26(28-19-29-27(25)34-23-14-8-7-13-22(23)30-31-34)33-17-15-32(16-18-33)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,24H,15-18H2