methyl 3-[4-[2-oxidanylidene-3-(6,7,8,9-tetrahydro-5H-pyrazino[2,3-d]azepin-3-yl)imidazol-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)imidazol-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)imidazol-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-imidazolyl]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)imidazol-1-yl]cyclohexyl]propanoate Traditional Name: 3-[4-[2-keto-3-(6,7,8,9-tetrahydro-5H-pyrazin[2,3-d]azepin-3-yl)-4-imidazolin-1-yl]cyclohexyl]propionic acid methyl ester Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCC(CC1)N2C=CN(C2=O)C3=CN=C4CCNCCC4=N3

Isomeric SMILES

COC(=O)CCC1CCC(CC1)N2C=CN(C2=O)C3=CN=C4CCNCCC4=N3

InChI

InChI=1S/C21H29N5O3/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/h12-16,22H,2-11H2,1H3