4-[4-[[[4-(2-ethyl-4-pyridin-3-yl-imidazol-1-yl)phenyl]amino]methyl]phenoxy]butanenitrile

Systemtic Name: 4-[4-[[[4-(2-ethyl-4-pyridin-3-yl-imidazol-1-yl)phenyl]amino]methyl]phenoxy]butanenitrile Openeye Name: 4-[4-[[4-[2-ethyl-4-(3-pyridyl)imidazol-1-yl]anilino]methyl]phenoxy]butanenitrile CAS Name: 4-[4-[[4-[2-ethyl-4-(3-pyridinyl)-1-imidazolyl]anilino]methyl]phenoxy]butanenitrile IUPAC Name: 4-[4-[[4-(2-ethyl-4-pyridin-3-ylimidazol-1-yl)anilino]methyl]phenoxy]butanenitrile Traditional Name: 4-[4-[[4-[2-ethyl-4-(3-pyridyl)imidazol-1-yl]anilino]methyl]phenoxy]butyronitrile Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CN1C2=CC=C(C=C2)NCC3=CC=C(C=C3)OCCCC#N)C4=CN=CC=C4

Isomeric SMILES

CCC1=NC(=CN1C2=CC=C(C=C2)NCC3=CC=C(C=C3)OCCCC#N)C4=CN=CC=C4

InChI

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