1-[2-(1-adamantyl)ethyl]-3-[3-(4-cyanopyridin-2-yl)propyl]-1-pentyl-urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(4-cyanopyridin-2-yl)propyl]-1-pentyl-urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(4-cyano-2-pyridyl)propyl]-1-pentyl-urea CAS Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(4-cyano-2-pyridinyl)propyl]-1-pentylurea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(4-cyanopyridin-2-yl)propyl]-1-pentylurea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[3-(4-cyano-2-pyridyl)propyl]urea Formula: C27H40N4O MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=NC=CC(=C4)C#N

Isomeric SMILES

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=NC=CC(=C4)C#N

InChI

InChI=1S/C27H40N4O/c1-2-3-4-11-31(12-8-27-17-22-13-23(18-27)15-24(14-22)19-27)26(32)30-9-5-6-25-16-21(20-28)7-10-29-25/h7,10,16,22-24H,2-6,8-9,11-15,17-19H2,1H3,(H,30,32)