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

Systemtic Name: N-naphthalen-1-yl-3-[2-[[4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Openeye Name: N-(1-naphthyl)-3-[2-[[4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide CAS Name: N-(1-naphthalenyl)-3-[2-[[4-[5-(3-pyridazinyl)-1-benzimidazolyl]-2-pyrimidinyl]amino]ethyl]-1-piperidinecarboxamide IUPAC Name: N-naphthalen-1-yl-3-[2-[[4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Traditional Name: N-(1-naphthyl)-3-[2-[[4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Formula: C33H31N9O MolecularWeight: 569.65894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)CCNC4=NC=CC(=N4)N5C=NC6=C5C=CC(=C6)C7=NN=CC=C7

Isomeric SMILES

C1CC(CN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)CCNC4=NC=CC(=N4)N5C=NC6=C5C=CC(=C6)C7=NN=CC=C7

InChI

InChI=1S/C33H31N9O/c43-33(38-28-10-3-8-24-7-1-2-9-26(24)28)41-19-5-6-23(21-41)14-17-34-32-35-18-15-31(39-32)42-22-36-29-20-25(12-13-30(29)42)27-11-4-16-37-40-27/h1-4,7-13,15-16,18,20,22-23H,5-6,14,17,19,21H2,(H,38,43)(H,34,35,39)