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

Systemtic Name: ethyl 2,4-dimethyl-1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C25H29N5O3/c1-4-33-24(32)22-18(2)23(20-9-6-5-7-10-20)30(19(22)3)17-21(31)28-13-15-29(16-14-28)25-26-11-8-12-27-25/h5-12H,4,13-17H2,1-3H3