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

Systemtic Name: ethyl 3,5-dimethyl-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-[4-(2-pyrimidyl)piperazino]acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C19H25N5O3/c1-4-27-18(26)17-13(2)16(14(3)22-17)15(25)12-23-8-10-24(11-9-23)19-20-6-5-7-21-19/h5-7,22H,4,8-12H2,1-3H3