3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide

Systemtic Name: 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide Openeye Name: 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-(p-tolyl)piperidine-1-carboxamide CAS Name: 3-[2-[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]ethyl]-N-(4-methylphenyl)-1-piperidinecarboxamide IUPAC Name: 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide Traditional Name: 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-(p-tolyl)piperidine-1-carboxamide Formula: C26H29N7O MolecularWeight: 455.55476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCCC(C2)CCNC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCCC(C2)CCNC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H29N7O/c1-19-8-10-21(11-9-19)30-26(34)32-16-4-5-20(17-32)12-14-27-25-28-15-13-24(31-25)33-18-29-22-6-2-3-7-23(22)33/h2-3,6-11,13,15,18,20H,4-5,12,14,16-17H2,1H3,(H,30,34)(H,27,28,31)