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

Systemtic Name: 1-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H21N7O2/c30-29(31)20-21(27-12-10-17(11-13-27)14-16-6-2-1-3-7-16)23-15-24-22(20)28-19-9-5-4-8-18(19)25-26-28/h1-9,15,17H,10-14H2