N-[2-[(6-pyrazol-1-ylpyridin-2-yl)methylamino]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(6-pyrazol-1-ylpyridin-2-yl)methylamino]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[(6-pyrazol-1-yl-2-pyridyl)methylamino]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[6-(1-pyrazolyl)-2-pyridinyl]methylamino]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(6-pyrazol-1-ylpyridin-2-yl)methylamino]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[(6-pyrazol-1-yl-2-pyridyl)methylamino]ethyl]adamantane-1-carboxamide Formula: C22H29N5O MolecularWeight: 379.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCNCC4=NC(=CC=C4)N5C=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCNCC4=NC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C22H29N5O/c28-21(22-12-16-9-17(13-22)11-18(10-16)14-22)24-7-6-23-15-19-3-1-4-20(26-19)27-8-2-5-25-27/h1-5,8,16-18,23H,6-7,9-15H2,(H,24,28)