(1S,5R)-N-cyclopentyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (Q27216722)

BRD-K04362735-001-01-5 (English)

11 October 2016

chemical formula

C₂₂H₂₆N₄O

1 reference

BRD-K04362735-001-01-5 (English)

11 October 2016

canonical SMILES

C1CCC(C1)NC(=O)N2C3CNCC2C3C4=CC=C(C=C4)C5=CN=CC=C5

1 reference

BRD-K04362735-001-01-5 (English)

11 October 2016

isomeric SMILES

C1CCC(C1)NC(=O)N2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CN=CC=C5

1 reference

BRD-K04362735-001-01-5 (English)

InChI=1S/C22H26N4O/c27-22(25-18-5-1-2-6-18)26-19-13-24-14-20(26)21(19)16-9-7-15(8-10-16)17-4-3-11-23-12-17/h3-4,7-12,18-21,24H,1-2,5-6,13-14H2,(H,25,27)/t19-,20+,21?

11 October 2016

Identifiers

InChI

1 reference

BRD-K04362735-001-01-5 (English)

NLCKAQRYGVHNGD-WCRBZPEASA-N

11 October 2016

InChIKey

2 references

BRD-K04362735-001-01-5 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K04362735-001-01-5 (English)

matched by identifier from

11 October 2016

InChIKey

NLCKAQRYGVHNGD-WCRBZPEASA-N

ChEBI ID

125944

mapping relation type

2 references

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