4-[4-[[[4-(5-ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl]amino]methyl]phenoxy]butanenitrile

Systemtic Name: 4-[4-[[[4-(5-ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl]amino]methyl]phenoxy]butanenitrile Openeye Name: 4-[4-[[4-[5-ethyl-3-(3-pyridyl)pyrazol-1-yl]anilino]methyl]phenoxy]butanenitrile CAS Name: 4-[4-[[4-[5-ethyl-3-(3-pyridinyl)-1-pyrazolyl]anilino]methyl]phenoxy]butanenitrile IUPAC Name: 4-[4-[[4-(5-ethyl-3-pyridin-3-ylpyrazol-1-yl)anilino]methyl]phenoxy]butanenitrile Traditional Name: 4-[4-[[4-[5-ethyl-3-(3-pyridyl)pyrazol-1-yl]anilino]methyl]phenoxy]butyronitrile Formula: C27H27N5O MolecularWeight: 437.53618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=CC=C(C=C2)NCC3=CC=C(C=C3)OCCCC#N)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC(=NN1C2=CC=C(C=C2)NCC3=CC=C(C=C3)OCCCC#N)C4=CN=CC=C4

InChI

InChI=1S/C27H27N5O/c1-2-24-18-27(22-6-5-16-29-20-22)31-32(24)25-11-9-23(10-12-25)30-19-21-7-13-26(14-8-21)33-17-4-3-15-28/h5-14,16,18,20,30H,2-4,17,19H2,1H3