methyl 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxidanylidene-imidazol-1-yl]cyclohexyl]propanoate

Systemtic Name: methyl 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxidanylidene-imidazol-1-yl]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxo-imidazol-1-yl]cyclohexyl]propanoate CAS Name: 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxo-1-imidazolyl]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxoimidazol-1-yl]cyclohexyl]propanoate Traditional Name: 3-[4-[2-keto-3-(7-methyl-5,6,8,9-tetrahydropyrazin[2,3-d]azepin-3-yl)-4-imidazolin-1-yl]cyclohexyl]propionic acid methyl ester Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=NC=C(N=C2CC1)N3C=CN(C3=O)C4CCC(CC4)CCC(=O)OC

Isomeric SMILES

CN1CCC2=NC=C(N=C2CC1)N3C=CN(C3=O)C4CCC(CC4)CCC(=O)OC

InChI

InChI=1S/C22H31N5O3/c1-25-11-9-18-19(10-12-25)24-20(15-23-18)27-14-13-26(22(27)29)17-6-3-16(4-7-17)5-8-21(28)30-2/h13-17H,3-12H2,1-2H3