JZJ

(3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline

Created:	2009-10-05
Last modified:	2011-06-04

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1 entries where JZJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	41
Aromatic Bond Count	18

2D diagram of JZJ

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Chemical Component Summary
Name	(3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline
Systematic Name (OpenEye OEToolkits)	(3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline
Formula	C₁₈ H₁₆ Br N₃
Molecular Weight	354.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	Brc1ccc(cc1)c2nc(nc2)C4NCc3ccccc3C4
SMILES	CACTVS	3.352	Brc1ccc(cc1)c2c[nH]c(n2)[CH]3Cc4ccccc4CN3
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)CC(NC2)c3[nH]cc(n3)c4ccc(cc4)Br
Canonical SMILES	CACTVS	3.352	Brc1ccc(cc1)c2c[nH]c(n2)[C@@H]3Cc4ccccc4CN3
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)C[C@H](NC2)c3[nH]cc(n3)c4ccc(cc4)Br
InChI	InChI	1.03	InChI=1S/C18H16BrN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,11,16,20H,9-10H2,(H,21,22)/t16-/m0/s1
InChIKey	InChI	1.03	ZBOUSWQJXIKQSX-INIZCTEOSA-N

Related Resource References

Resource Name	Reference
PubChem	44462703
ChEMBL	CHEMBL1233784

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