31O

methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate



Chemical Component Summary

Namemethyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate
Identifiersmethyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate
FormulaC22 H21 Cl N4 O3
Molecular Weight424.88
TypeNON-POLYMER
Isomeric SMILESCc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC
InChIInChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
InChIKeyFENXDXHDXYVGRJ-BLVKFPJESA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count2
Bond Count54
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL3769729
PubChem 86277842
ChEMBL CHEMBL3769729