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

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(4-pyridyl)-1-piperidyl]methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-pyridin-4-yl-1-piperidinyl)methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(4-pyridyl)piperidino]methyl]-2-pyridyl]benzamide Formula: C30H28N6O MolecularWeight: 488.58292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=NC=C2)CC3=CN=C(C(=C3)C#N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N

Isomeric SMILES

C1CN(CCC1C2=CC=NC=C2)CC3=CN=C(C(=C3)C#N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N

InChI

InChI=1S/C30H28N6O/c31-18-26-17-21(20-36-15-11-23(12-16-36)22-9-13-33-14-10-22)19-34-29(26)24-5-7-25(8-6-24)30(37)35-28-4-2-1-3-27(28)32/h1-10,13-14,17,19,23H,11-12,15-16,20,32H2,(H,35,37)