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

Systemtic Name: N-phenyl-3-[2-[[4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Openeye Name: N-phenyl-3-[2-[[4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide CAS Name: N-phenyl-3-[2-[[4-[5-(3-pyridazinyl)-1-benzimidazolyl]-2-pyrimidinyl]amino]ethyl]-1-piperidinecarboxamide IUPAC Name: N-phenyl-3-[2-[[4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Traditional Name: N-phenyl-3-[2-[[4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Formula: C29H29N9O MolecularWeight: 519.60026

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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=NN=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C29H29N9O/c39-29(34-23-7-2-1-3-8-23)37-17-5-6-21(19-37)12-15-30-28-31-16-13-27(35-28)38-20-32-25-18-22(10-11-26(25)38)24-9-4-14-33-36-24/h1-4,7-11,13-14,16,18,20-21H,5-6,12,15,17,19H2,(H,34,39)(H,30,31,35)