4-[(1-cyanopyrrolidin-3-yl)amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-[(1-cyanopyrrolidin-3-yl)amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[(1-cyanopyrrolidin-3-yl)amino]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[(1-cyano-3-pyrrolidinyl)amino]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[(1-cyanopyrrolidin-3-yl)amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[(1-cyanopyrrolidin-3-yl)amino]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C28H26N8O MolecularWeight: 490.55904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3CCN(C3)C#N)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3CCN(C3)C#N)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H26N8O/c1-19-4-7-23(15-26(19)35-28-31-13-10-25(34-28)21-3-2-12-30-16-21)33-27(37)20-5-8-22(9-6-20)32-24-11-14-36(17-24)18-29/h2-10,12-13,15-16,24,32H,11,14,17H2,1H3,(H,33,37)(H,31,34,35)