N-(2-aminophenyl)-4-[3-cyano-5-[(4-ethanoylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-ethanoylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide Openeye Name: 4-[5-[(4-acetylpiperazin-1-yl)methyl]-3-cyano-2-pyridyl]-N-(2-aminophenyl)benzamide CAS Name: 4-[5-[(4-acetyl-1-piperazinyl)methyl]-3-cyano-2-pyridinyl]-N-(2-aminophenyl)benzamide IUPAC Name: 4-[5-[(4-acetylpiperazin-1-yl)methyl]-3-cyanopyridin-2-yl]-N-(2-aminophenyl)benzamide Traditional Name: 4-[5-[(4-acetylpiperazino)methyl]-3-cyano-2-pyridyl]-N-(2-aminophenyl)benzamide Formula: C26H26N6O2 MolecularWeight: 454.52364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C26H26N6O2/c1-18(33)32-12-10-31(11-13-32)17-19-14-22(15-27)25(29-16-19)20-6-8-21(9-7-20)26(34)30-24-5-3-2-4-23(24)28/h2-9,14,16H,10-13,17,28H2,1H3,(H,30,34)