tert-butyl 2-[[6-(4-cyano-4-phenyl-piperidin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(4-cyano-4-phenyl-piperidin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(4-cyano-4-phenyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(4-cyano-4-phenyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(4-cyano-4-phenylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(4-cyano-4-phenyl-piperidino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C23H28N6O4 MolecularWeight: 452.50622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H28N6O4/c1-22(2,3)33-18(30)14-27(4)20-19(29(31)32)21(26-16-25-20)28-12-10-23(15-24,11-13-28)17-8-6-5-7-9-17/h5-9,16H,10-14H2,1-4H3