methyl 3-[4-[2-oxidanylidene-3-(6,7,8,9-tetrahydro-5H-pyrazino[2,3-d]azepin-3-yl)imidazolidin-1-yl]cyclohexyl]propanoate

Systemtic Name: methyl 3-[4-[2-oxidanylidene-3-(6,7,8,9-tetrahydro-5H-pyrazino[2,3-d]azepin-3-yl)imidazolidin-1-yl]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[2-oxo-3-(6,7,8,9-tetrahydro-5H-pyrazino[2,3-d]azepin-3-yl)imidazolidin-1-yl]cyclohexyl]propanoate CAS Name: 3-[4-[2-oxo-3-(6,7,8,9-tetrahydro-5H-pyrazino[2,3-d]azepin-3-yl)-1-imidazolidinyl]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-oxo-3-(6,7,8,9-tetrahydro-5H-pyrazino[2,3-d]azepin-3-yl)imidazolidin-1-yl]cyclohexyl]propanoate Traditional Name: 3-[4-[2-keto-3-(6,7,8,9-tetrahydro-5H-pyrazin[2,3-d]azepin-3-yl)imidazolidin-1-yl]cyclohexyl]propionic acid methyl ester Formula: C21H31N5O3 MolecularWeight: 401.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCC(CC1)N2CCN(C2=O)C3=CN=C4CCNCCC4=N3

Isomeric SMILES

COC(=O)CCC1CCC(CC1)N2CCN(C2=O)C3=CN=C4CCNCCC4=N3

InChI

InChI=1S/C21H31N5O3/c1-29-20(27)7-4-15-2-5-16(6-3-15)25-12-13-26(21(25)28)19-14-23-17-8-10-22-11-9-18(17)24-19/h14-16,22H,2-13H2,1H3