methyl 1-[6-[(diphenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[(diphenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(diphenylmethyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(benzhydrylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O4/c1-33-24(30)19-12-14-28(15-13-19)23-21(29(31)32)22(25-16-26-23)27-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,25,26,27)