methyl 3-[6-cyclohexyl-2-oxidanylidene-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-5-yl]propanoate

Systemtic Name: methyl 3-[6-cyclohexyl-2-oxidanylidene-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-5-yl]propanoate Openeye Name: methyl 3-[6-cyclohexyl-2-oxo-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexahydropyrimidin-5-yl]propanoate CAS Name: 3-[6-cyclohexyl-2-oxo-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-cyclohexyl-2-oxo-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-5-yl]propanoate Traditional Name: 3-[6-cyclohexyl-2-keto-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexahydropyrimidin-5-yl]propionic acid methyl ester Formula: C24H35N3O3 MolecularWeight: 413.553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CNC(=O)N(C1C2CCCCC2)C3=CC4=C(CCNCC4)C=C3

Isomeric SMILES

COC(=O)CCC1CNC(=O)N(C1C2CCCCC2)C3=CC4=C(CCNCC4)C=C3

InChI

InChI=1S/C24H35N3O3/c1-30-22(28)10-8-20-16-26-24(29)27(23(20)18-5-3-2-4-6-18)21-9-7-17-11-13-25-14-12-19(17)15-21/h7,9,15,18,20,23,25H,2-6,8,10-14,16H2,1H3,(H,26,29)