(1R,5S)-7-[4-(2-methylphenyl)phenyl]-6-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane (Q27217790)

BRD-K10749532-001-01-0 (English)

11 October 2016

chemical formula

C₂₄H₂₅N₃

1 reference

BRD-K10749532-001-01-0 (English)

11 October 2016

canonical SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3C4CNCC3N4CC5=CN=CC=C5

1 reference

BRD-K10749532-001-01-0 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CN=CC=C5

1 reference

BRD-K10749532-001-01-0 (English)

InChI=1S/C24H25N3/c1-17-5-2-3-7-21(17)19-8-10-20(11-9-19)24-22-14-26-15-23(24)27(22)16-18-6-4-12-25-13-18/h2-13,22-24,26H,14-16H2,1H3/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K10749532-001-01-0 (English)

QODREXMGPLMOHL-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K10749532-001-01-0 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K10749532-001-01-0 (English)

matched by identifier from

11 October 2016

InChIKey

QODREXMGPLMOHL-VSGJHWFKSA-N

ChEBI ID

126260

mapping relation type

2 references

(1R,5S)-7-[4-(2-methylphenyl)phenyl]-6-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane (English)