N2,N6-bis[2,6-dimethyl-4-(2-pyridin-4-ylethynyl)phenyl]pyridine-2,6-dicarboxamide

Systemtic Name: N2,N6-bis[2,6-dimethyl-4-(2-pyridin-4-ylethynyl)phenyl]pyridine-2,6-dicarboxamide Openeye Name: N2,N6-bis[2,6-dimethyl-4-[2-(4-pyridyl)ethynyl]phenyl]pyridine-2,6-dicarboxamide CAS Name: N2,N6-bis[2,6-dimethyl-4-(2-pyridin-4-ylethynyl)phenyl]pyridine-2,6-dicarboxamide IUPAC Name: 2-N,6-N-bis[2,6-dimethyl-4-(2-pyridin-4-ylethynyl)phenyl]pyridine-2,6-dicarboxamide Traditional Name: N,N'-bis[2,6-dimethyl-4-[2-(4-pyridyl)ethynyl]phenyl]dipicolinamide Formula: C37H29N5O2 MolecularWeight: 575.65846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=NC(=CC=C2)C(=O)NC3=C(C=C(C=C3C)C#CC4=CC=NC=C4)C)C)C#CC5=CC=NC=C5

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=NC(=CC=C2)C(=O)NC3=C(C=C(C=C3C)C#CC4=CC=NC=C4)C)C)C#CC5=CC=NC=C5

InChI

InChI=1S/C37H29N5O2/c1-24-20-30(10-8-28-12-16-38-17-13-28)21-25(2)34(24)41-36(43)32-6-5-7-33(40-32)37(44)42-35-26(3)22-31(23-27(35)4)11-9-29-14-18-39-19-15-29/h5-7,12-23H,1-4H3,(H,41,43)(H,42,44)