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

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

CC(C1CCCN(C1)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=NN=CC=C6

Isomeric SMILES

CC(C1CCCN(C1)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=NN=CC=C6

InChI

InChI=1S/C29H29N9O/c1-20(22-7-6-16-37(18-22)29(39)34-23-8-3-2-4-9-23)33-28-30-15-13-27(35-28)38-19-31-25-17-21(11-12-26(25)38)24-10-5-14-32-36-24/h2-5,8-15,17,19-20,22H,6-7,16,18H2,1H3,(H,34,39)(H,30,33,35)