3-(1-adamantyl)-1-[1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-1-propyl-urea

Systemtic Name: 3-(1-adamantyl)-1-[1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-1-propyl-urea Openeye Name: 3-(1-adamantyl)-1-[1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]ethyl]-1-propyl-urea CAS Name: 3-(1-adamantyl)-1-[1-[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]-1-propylurea IUPAC Name: 3-(1-adamantyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea Traditional Name: 3-(1-adamantyl)-1-[1-[4-keto-3-(m-tolyl)quinazolin-2-yl]ethyl]-1-propyl-urea Formula: C31H38N4O2 MolecularWeight: 498.65902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N4O2/c1-4-12-34(30(37)33-31-17-22-14-23(18-31)16-24(15-22)19-31)21(3)28-32-27-11-6-5-10-26(27)29(36)35(28)25-9-7-8-20(2)13-25/h5-11,13,21-24H,4,12,14-19H2,1-3H3,(H,33,37)