3-(1-adamantyl)-1-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-hexyl-urea

Systemtic Name: 3-(1-adamantyl)-1-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-hexyl-urea Openeye Name: 3-(1-adamantyl)-1-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-1-hexyl-urea CAS Name: 3-(1-adamantyl)-1-[1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]propyl]-1-hexylurea IUPAC Name: 3-(1-adamantyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-hexylurea Traditional Name: 3-(1-adamantyl)-1-[1-[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]propyl]-1-hexyl-urea Formula: C36H48N4O2 MolecularWeight: 568.79192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)CC)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)CC)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C36H48N4O2/c1-4-7-8-11-18-39(35(42)38-36-22-26-19-27(23-36)21-28(20-26)24-36)32(6-3)33-37-31-13-10-9-12-30(31)34(41)40(33)29-16-14-25(5-2)15-17-29/h9-10,12-17,26-28,32H,4-8,11,18-24H2,1-3H3,(H,38,42)