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

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(hydroxymethyl)-1-piperidyl]methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(hydroxymethyl)-1-piperidinyl]methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-methylolpiperidino)methyl]-2-pyridyl]benzamide Formula: C26H27N5O2 MolecularWeight: 441.52488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)CC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

C1CN(CCC1CO)CC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C26H27N5O2/c27-14-22-13-19(16-31-11-9-18(17-32)10-12-31)15-29-25(22)20-5-7-21(8-6-20)26(33)30-24-4-2-1-3-23(24)28/h1-8,13,15,18,32H,9-12,16-17,28H2,(H,30,33)