4-[[2-ethyl-5-(2-hydroxyethyloxy)-6-(2-phenylethynyl)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide

Systemtic Name: 4-[[2-ethyl-5-(2-hydroxyethyloxy)-6-(2-phenylethynyl)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide Openeye Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-(2-phenylethynyl)cyclohexa-1,5-dien-1-yl]amino]benzamidine CAS Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-(2-phenylethynyl)-1-cyclohexa-1,5-dienyl]amino]benzenecarboximidamide IUPAC Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-(2-phenylethynyl)cyclohexa-1,5-dien-1-yl]amino]benzenecarboximidamide Traditional Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-(2-phenylethynyl)cyclohexa-1,5-dien-1-yl]amino]benzamidine Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(CC1)OCCO)C#CC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=C(C(=C(CC1)OCCO)C#CC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H27N3O2/c1-2-19-11-15-23(30-17-16-29)22(14-8-18-6-4-3-5-7-18)24(19)28-21-12-9-20(10-13-21)25(26)27/h3-7,9-10,12-13,28-29H,2,11,15-17H2,1H3,(H3,26,27)