3-(1-adamantyl)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-propyl-urea

Systemtic Name: 3-(1-adamantyl)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-propyl-urea Openeye Name: 3-(1-adamantyl)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1-propyl-urea CAS Name: 3-(1-adamantyl)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-propylurea IUPAC Name: 3-(1-adamantyl)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-propylurea Traditional Name: 3-(1-adamantyl)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-1-propyl-urea Formula: C25H35N3O2 MolecularWeight: 409.5643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N1CCC2=CC=CC=C2C1)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN(CC(=O)N1CCC2=CC=CC=C2C1)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O2/c1-2-8-28(17-23(29)27-9-7-21-5-3-4-6-22(21)16-27)24(30)26-25-13-18-10-19(14-25)12-20(11-18)15-25/h3-6,18-20H,2,7-17H2,1H3,(H,26,30)