(1S,5R)-7-[4-(3-pyridinyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (Q27215467)

BRD-K78197930-019-01-1 (English)

11 October 2016

chemical formula

C₂₄H₂₁F₃N₄O

1 reference

BRD-K78197930-019-01-1 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2)CN1C(=O)NC3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C5=CN=CC=C5

1 reference

BRD-K78197930-019-01-1 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2)CN1C(=O)NC3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C5=CN=CC=C5

1 reference

BRD-K78197930-019-01-1 (English)

InChI=1S/C24H21F3N4O/c25-24(26,27)18-7-9-19(10-8-18)29-23(32)31-13-20-22(21(14-31)30-20)16-5-3-15(4-6-16)17-2-1-11-28-12-17/h1-12,20-22,30H,13-14H2,(H,29,32)/t20-,21+,22?

11 October 2016

Identifiers

InChI

1 reference

BRD-K78197930-019-01-1 (English)

LOIQDMHBCOWTFT-CBQGHPETSA-N

11 October 2016

InChIKey

2 references

BRD-K78197930-019-01-1 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K78197930-019-01-1 (English)

matched by identifier from

11 October 2016

InChIKey

LOIQDMHBCOWTFT-CBQGHPETSA-N

ChEBI ID

125125

mapping relation type

2 references

(1S,5R)-7-[4-(3-pyridinyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (English)