(Q4836781)

CHEMBL22520 (English)

21 September 2016

chemical formula

C₂₃H₃₁N₃O

1 reference

CHEMBL22520 (English)

21 September 2016

canonical SMILES

CCCCN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)N(CC)CC

1 reference

CHEMBL22520 (English)

21 September 2016

isomeric SMILES

CCCCN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(CC)CC

1 reference

CHEMBL22520 (English)

InChI=1S/C23H31N3O/c1-4-7-11-26-15-17(23(27)25(5-2)6-3)12-19-18-9-8-10-20-22(18)16(14-24-20)13-21(19)26/h8-10,12,14,17,21,24H,4-7,11,13,15H2,1-3H3/t17-,21-/m1/s1

21 September 2016

Identifiers

InChI

1 reference

CHEMBL22520 (English)

VTVHSIXDKKKTMT-DYESRHJHSA-N

21 September 2016

InChIKey

1 reference

CHEMBL22520 (English)

imported from Wikimedia project

21 September 2016

CAS Registry Number

96930-87-9

2 references

English Wikipedia

InChIKey

VTVHSIXDKKKTMT-DYESRHJHSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=96930-87-9

1 reference

(8beta)-6-Butyl-N,N-diethyl-9,10-didehydroergoline-8-carboxamide (English)

21 September 2016

1 reference

CHEMBL22520 (English)

21 September 2016

1 reference