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

Systemtic Name: 1-[1-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-4-yl]benzotriazole Openeye Name: 1-[1-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-4-piperidyl]benzotriazole CAS Name: 1-[1-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-4-piperidinyl]benzotriazole IUPAC Name: 1-[1-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperidin-4-yl]benzotriazole Traditional Name: 1-[1-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-4-piperidyl]benzotriazole Formula: C26H29N9O2 MolecularWeight: 499.56756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3N=N2)C4=C(C(=NC=N4)N5CCN(CC5)CC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3N=N2)C4=C(C(=NC=N4)N5CCN(CC5)CC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H29N9O2/c36-35(37)24-25(32-12-10-21(11-13-32)34-23-9-5-4-8-22(23)29-30-34)27-19-28-26(24)33-16-14-31(15-17-33)18-20-6-2-1-3-7-20/h1-9,19,21H,10-18H2