ethyl 3,5-dimethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)carbonyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=NC=CN=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=NC=CN=C3)C

InChI

InChI=1S/C18H23N5O3/c1-4-26-18(25)16-12(2)15(13(3)21-16)17(24)23-9-7-22(8-10-23)14-11-19-5-6-20-14/h5-6,11,21H,4,7-10H2,1-3H3