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

Systemtic Name: 3-(1-adamantyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-pentyl-urea Openeye Name: 3-(1-adamantyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1-pentyl-urea CAS Name: 3-(1-adamantyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-pentylurea IUPAC Name: 3-(1-adamantyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-pentylurea Traditional Name: 3-(1-adamantyl)-1-amyl-1-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]urea Formula: C28H41N3O2 MolecularWeight: 451.64404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H41N3O2/c1-3-4-7-11-30(19-26(32)31-12-10-24-8-5-6-9-25(24)20(31)2)27(33)29-28-16-21-13-22(17-28)15-23(14-21)18-28/h5-6,8-9,20-23H,3-4,7,10-19H2,1-2H3,(H,29,33)