ethyl 4-[3-[[(2S)-butan-2-yl]-pyrazin-2-ylcarbonyl-amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[(2S)-butan-2-yl]-pyrazin-2-ylcarbonyl-amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[(1S)-1-methylpropyl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[[(2S)-butan-2-yl]-[oxo(2-pyrazinyl)methyl]amino]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[(2S)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(1S)-1-methylpropyl]-pyrazinoyl-amino]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N5O4 MolecularWeight: 391.46466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCC(=O)N1CCN(CC1)C(=O)OCC)C(=O)C2=NC=CN=C2

Isomeric SMILES

CC[C@H](C)N(CCC(=O)N1CCN(CC1)C(=O)OCC)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C19H29N5O4/c1-4-15(3)24(18(26)16-14-20-7-8-21-16)9-6-17(25)22-10-12-23(13-11-22)19(27)28-5-2/h7-8,14-15H,4-6,9-13H2,1-3H3/t15-/m0/s1