1-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C27H30N6O4 MolecularWeight: 502.5649

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H30N6O4/c34-27(35)22-11-13-31(14-12-22)25-24(33(36)37)26(29-19-28-25)32-17-15-30(16-18-32)23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,19,22-23H,11-18H2,(H,34,35)