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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CCCC(C2)C(C)NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2CCCC(C2)C(C)NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H29N7O/c1-18-8-3-4-10-21(18)30-26(34)32-15-7-9-20(16-32)19(2)29-25-27-14-13-24(31-25)33-17-28-22-11-5-6-12-23(22)33/h3-6,8,10-14,17,19-20H,7,9,15-16H2,1-2H3,(H,30,34)(H,27,29,31)