1-[1-methyl-5-(4-nitrophenyl)carbonyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[1-methyl-5-(4-nitrophenyl)carbonyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[1-methyl-5-(4-nitrobenzoyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-[1-methyl-5-[(4-nitrophenyl)-oxomethyl]-3-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[1-methyl-5-(4-nitrobenzoyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[1-methyl-5-(4-nitrobenzoyl)pyrrol-3-yl]-2-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H22N6O4 MolecularWeight: 434.44788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H22N6O4/c1-25-14-17(13-19(25)21(30)16-3-5-18(6-4-16)28(31)32)20(29)15-26-9-11-27(12-10-26)22-23-7-2-8-24-22/h2-8,13-14H,9-12,15H2,1H3