3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide

Systemtic Name: 3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide Openeye Name: 3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-[2-(3-pyridyl)ethyl]benzamide CAS Name: 3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]-N-[2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide Traditional Name: 3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]-N-[2-(3-pyridyl)ethyl]benzamide Formula: C28H29N7O MolecularWeight: 479.57616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCCC5=CN=CC=C5

InChI

InChI=1S/C28H29N7O/c36-27(30-14-11-22-6-5-13-29-21-22)23-7-4-8-24(20-23)32-26-12-15-31-28(33-26)35-18-16-34(17-19-35)25-9-2-1-3-10-25/h1-10,12-13,15,20-21H,11,14,16-19H2,(H,30,36)(H,31,32,33)