N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]piperidine-3-carboxamide

Systemtic Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]piperidine-3-carboxamide Openeye Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]piperidine-3-carboxamide CAS Name: N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-3-piperidinecarboxamide IUPAC Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]piperidine-3-carboxamide Traditional Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]nipecotamide 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)C5CCCNC5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCCNC5

InChI

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