Chemical Component Summary

Name4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-1-YL-BENZONITRILE
Identifiers4-[(3-cyanophenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]-2-naphthalen-1-yl-benzonitrile
FormulaC30 H23 N5
Molecular Weight453.537
TypeNON-POLYMER
Isomeric SMILESCn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4cccc5c4cccc5)C#N
InChIInChI=1S/C30H23N5/c1-34-21-33-18-27(34)20-35(19-23-7-4-6-22(14-23)16-31)26-13-12-25(17-32)30(15-26)29-11-5-9-24-8-2-3-10-28(24)29/h2-15,18,21H,19-20H2,1H3
InChIKeyIQZCODLAPFPVNS-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count62
Aromatic Bond Count29

Related Resource References

Resource NameReference
PubChem 447390
ChEMBL CHEMBL27843