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

Systemtic Name: 3-(1-adamantyl)-1-butyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]urea Openeye Name: 3-(1-adamantyl)-1-butyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]urea CAS Name: 3-(1-adamantyl)-1-butyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]urea IUPAC Name: 3-(1-adamantyl)-1-butyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]urea Traditional Name: 3-(1-adamantyl)-1-butyl-1-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]urea Formula: C27H39N3O2 MolecularWeight: 437.61746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O2/c1-3-4-10-29(18-25(31)30-11-9-23-7-5-6-8-24(23)19(30)2)26(32)28-27-15-20-12-21(16-27)14-22(13-20)17-27/h5-8,19-22H,3-4,9-18H2,1-2H3,(H,28,32)