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

Systemtic Name: methyl 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrido[3,4-d]azepin-3-yl)-2-oxidanylidene-imidazol-1-yl]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrido[3,4-d]azepin-3-yl)-2-oxo-imidazol-1-yl]cyclohexyl]propanoate CAS Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrido[3,4-d]azepin-3-yl)-2-oxo-1-imidazolyl]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrido[3,4-d]azepin-3-yl)-2-oxoimidazol-1-yl]cyclohexyl]propanoate Traditional Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrid[3,4-d]azepin-3-yl)-2-keto-4-imidazolin-1-yl]cyclohexyl]propionic acid methyl ester Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=CC(=NC=C2CC1)N3C=CN(C3=O)C4CCC(CC4)CCC(=O)OC

Isomeric SMILES

CCN1CCC2=CC(=NC=C2CC1)N3C=CN(C3=O)C4CCC(CC4)CCC(=O)OC

InChI

InChI=1S/C24H34N4O3/c1-3-26-12-10-19-16-22(25-17-20(19)11-13-26)28-15-14-27(24(28)30)21-7-4-18(5-8-21)6-9-23(29)31-2/h14-18,21H,3-13H2,1-2H3