2-methoxyethyl 2,4-dimethyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: 2-methoxyethyl 2,4-dimethyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: 2-methoxyethyl 2,4-dimethyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]methyl]-1H-pyrrole-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2,4-dimethyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[3-[4-(2-pyrimidyl)piperazino]propylcarbamoyl]-1H-pyrrole-3-carboxylic acid 2-methoxyethyl ester Formula: C22H32N6O4 MolecularWeight: 444.52728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OCCOC)C)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OCCOC)C)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H32N6O4/c1-16-18(21(30)32-15-14-31-3)17(2)26-19(16)20(29)23-8-5-9-27-10-12-28(13-11-27)22-24-6-4-7-25-22/h4,6-7,26H,5,8-15H2,1-3H3,(H,23,29)