SH-053-R-CH3-2′F (Q7390120)

sh-053-r-ch3-2'f (English)

21 September 2016

chemical formula

C₂₃H₁₈FN₃O₂

1 reference

sh-053-r-ch3-2'f (English)

21 September 2016

canonical SMILES

CCOC(=O)C1=C2C(N=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=C4F)C

1 reference

sh-053-r-ch3-2'f (English)

21 September 2016

isomeric SMILES

CCOC(=O)C1=C2[C@H](N=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=C4F)C

1 reference

sh-053-r-ch3-2'f (English)

InChI=1S/C23H18FN3O2/c1-4-15-10-11-19-17(12-15)20(16-8-6-7-9-18(16)24)26-14(3)22-21(23(28)29-5-2)25-13-27(19)22/h1,6-14H,5H2,2-3H3/t14-/m1/s1

21 September 2016

Identifiers

InChI

1 reference

sh-053-r-ch3-2'f (English)

NGYKELBMVXBFSM-CQSZACIVSA-N

21 September 2016

InChIKey

1 reference

sh-053-r-ch3-2'f (English)

imported from Wikimedia project

21 September 2016

CAS Registry Number

872874-14-1

2 references

English Wikipedia

InChIKey

NGYKELBMVXBFSM-CQSZACIVSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=872874-14-1

1 reference

Ethyl (4R)-8-ethynyl-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (English)

21 September 2016

1 reference