3-[2-[[4-[5-(2-azanylpyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 3-[2-[[4-[5-(2-azanylpyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: 3-[2-[[4-[5-(2-amino-4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide CAS Name: 3-[2-[[4-[5-(2-amino-4-pyridinyl)-1-benzimidazolyl]-2-pyrimidinyl]amino]ethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 3-[2-[[4-[5-(2-aminopyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide Traditional Name: 3-[2-[[4-[5-(2-amino-4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide Formula: C30H31N9O MolecularWeight: 533.62684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)CCNC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=CC(=NC=C6)N

Isomeric SMILES

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)CCNC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=CC(=NC=C6)N

InChI

InChI=1S/C30H31N9O/c31-27-18-23(11-14-32-27)22-8-9-26-25(17-22)35-20-39(26)28-12-15-34-29(37-28)33-13-10-21-5-4-16-38(19-21)30(40)36-24-6-2-1-3-7-24/h1-3,6-9,11-12,14-15,17-18,20-21H,4-5,10,13,16,19H2,(H2,31,32)(H,36,40)(H,33,34,37)