1-octadecyl-3-(pyridin-4-ylmethyl)urea

Systemtic Name: 1-octadecyl-3-(pyridin-4-ylmethyl)urea Openeye Name: 1-octadecyl-3-(4-pyridylmethyl)urea CAS Name: 1-octadecyl-3-(pyridin-4-ylmethyl)urea IUPAC Name: 1-octadecyl-3-(pyridin-4-ylmethyl)urea Traditional Name: 1-(4-pyridylmethyl)-3-stearyl-urea Formula: C25H45N3O MolecularWeight: 403.6443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NCC1=CC=NC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NCC1=CC=NC=C1

InChI

InChI=1S/C25H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-25(29)28-23-24-18-21-26-22-19-24/h18-19,21-22H,2-17,20,23H2,1H3,(H2,27,28,29)