ethyl 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O4/c1-2-32-22(29)17-7-6-10-27(15-17)21-19(28(30)31)20(23-16-24-21)26-13-11-25(12-14-26)18-8-4-3-5-9-18/h3-5,8-9,16-17H,2,6-7,10-15H2,1H3