(Q27220832)

BRD-K43379283-001-01-8 (English)

11 October 2016

chemical formula

C₂₅H₂₁ClN₄O

1 reference

BRD-K43379283-001-01-8 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2C(=O)NC3=CC=C(C=C3)Cl)CN1)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

1 reference

BRD-K43379283-001-01-8 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2C(=O)NC3=CC=C(C=C3)Cl)CN1)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

1 reference

BRD-K43379283-001-01-8 (English)

InChI=1S/C25H21ClN4O/c26-20-9-11-21(12-10-20)29-25(31)30-22-14-28-15-23(30)24(22)19-7-5-18(6-8-19)17-3-1-16(13-27)2-4-17/h1-12,22-24,28H,14-15H2,(H,29,31)/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K43379283-001-01-8 (English)

CKRBDNNNORABPR-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K43379283-001-01-8 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K43379283-001-01-8 (English)

11 October 2016

ChEBI ID

128099

mapping relation type

1 reference