ethyl 1-[5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-cinnamylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-cinnamylpiperazino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C25H32N6O4 MolecularWeight: 480.55938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC=CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC=CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H32N6O4/c1-2-35-25(32)21-10-13-29(14-11-21)23-22(31(33)34)24(27-19-26-23)30-17-15-28(16-18-30)12-6-9-20-7-4-3-5-8-20/h3-9,19,21H,2,10-18H2,1H3