N-(2-aminophenyl)-4-[[[(E)-2-cyanoethenyl]-(pyridin-4-ylamino)amino]methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[[[(E)-2-cyanoethenyl]-(pyridin-4-ylamino)amino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[[(E)-2-cyanovinyl]-(4-pyridylamino)amino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[(E)-2-cyanoethenyl]-(pyridin-4-ylamino)amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[[(E)-2-cyanoethenyl]-(pyridin-4-ylamino)amino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[[(E)-2-cyanovinyl]-(4-pyridylamino)amino]methyl]benzamide Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CN(C=CC#N)NC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CN(/C=C/C#N)NC3=CC=NC=C3

InChI

InChI=1S/C22H20N6O/c23-12-3-15-28(27-19-10-13-25-14-11-19)16-17-6-8-18(9-7-17)22(29)26-21-5-2-1-4-20(21)24/h1-11,13-15H,16,24H2,(H,25,27)(H,26,29)/b15-3+