methyl 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C22H28N6O5 MolecularWeight: 456.49492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C22H28N6O5/c1-32-18-5-3-17(4-6-18)25-11-13-27(14-12-25)21-19(28(30)31)20(23-15-24-21)26-9-7-16(8-10-26)22(29)33-2/h3-6,15-16H,7-14H2,1-2H3