N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]piperidine-4-carboxamide

Systemtic Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]piperidine-4-carboxamide Openeye Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]piperidine-4-carboxamide CAS Name: N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-4-piperidinecarboxamide IUPAC Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]piperidine-4-carboxamide Traditional Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]isonipecotamide Formula: C25H27N7O MolecularWeight: 441.52818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCNCC5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCNCC5

InChI

InChI=1S/C25H27N7O/c1-17(18-5-3-2-4-6-18)29-25-27-14-11-23(31-25)32-16-28-21-15-20(7-8-22(21)32)30-24(33)19-9-12-26-13-10-19/h2-8,11,14-17,19,26H,9-10,12-13H2,1H3,(H,30,33)(H,27,29,31)