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

Systemtic Name: ethyl 4-[3-[(phenylmethyl)-pyrazin-2-ylcarbonyl-amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[benzyl(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-[[oxo(2-pyrazinyl)methyl]-(phenylmethyl)amino]propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[benzyl(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[benzyl(pyrazinoyl)amino]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCN(CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCN(CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H27N5O4/c1-2-31-22(30)26-14-12-25(13-15-26)20(28)8-11-27(17-18-6-4-3-5-7-18)21(29)19-16-23-9-10-24-19/h3-7,9-10,16H,2,8,11-15,17H2,1H3