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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCCCN5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCCCN5

InChI

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