[2-(1-adamantyl)pyridin-4-yl]-(azepan-1-yl)methanone

Systemtic Name: [2-(1-adamantyl)pyridin-4-yl]-(azepan-1-yl)methanone Openeye Name: [2-(1-adamantyl)-4-pyridyl]-(azepan-1-yl)methanone CAS Name: [2-(1-adamantyl)-4-pyridinyl]-(1-azepanyl)methanone IUPAC Name: [2-(1-adamantyl)pyridin-4-yl]-(azepan-1-yl)methanone Traditional Name: [2-(1-adamantyl)-4-pyridyl]-(azepan-1-yl)methanone Formula: C22H30N2O MolecularWeight: 338.4864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O/c25-21(24-7-3-1-2-4-8-24)19-5-6-23-20(12-19)22-13-16-9-17(14-22)11-18(10-16)15-22/h5-6,12,16-18H,1-4,7-11,13-15H2