cyclobutyl-[(1R,5S)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone (Q27215405)

BRD-K34205220-019-01-4 (English)

11 October 2016

chemical formula

C₂₃H₂₆N₂O

1 reference

BRD-K34205220-019-01-4 (English)

11 October 2016

canonical SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)C5CCC5

1 reference

BRD-K34205220-019-01-4 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)C5CCC5

1 reference

BRD-K34205220-019-01-4 (English)

InChI=1S/C23H26N2O/c1-15-5-2-3-8-19(15)16-9-11-17(12-10-16)22-20-13-25(14-21(22)24-20)23(26)18-6-4-7-18/h2-3,5,8-12,18,20-22,24H,4,6-7,13-14H2,1H3/t20-,21+,22?

11 October 2016

Identifiers

InChI

1 reference

BRD-K34205220-019-01-4 (English)

UFARXCJWPNOPQW-CBQGHPETSA-N

11 October 2016

InChIKey

2 references

BRD-K34205220-019-01-4 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K34205220-019-01-4 (English)

matched by identifier from

11 October 2016

InChIKey

UFARXCJWPNOPQW-CBQGHPETSA-N

ChEBI ID

125067

mapping relation type

2 references

cyclobutyl-[(1R,5S)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone (English)