3-(1-adamantyl)-1-[1-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)propyl]-1-phenethyl-urea

Systemtic Name: 3-(1-adamantyl)-1-[1-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)propyl]-1-phenethyl-urea Openeye Name: 3-(1-adamantyl)-1-[1-(4-oxo-3-phenyl-quinazolin-2-yl)propyl]-1-phenethyl-urea CAS Name: 3-(1-adamantyl)-1-[1-(4-oxo-3-phenyl-2-quinazolinyl)propyl]-1-phenethylurea IUPAC Name: 3-(1-adamantyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-phenethylurea Traditional Name: 3-(1-adamantyl)-1-[1-(4-keto-3-phenyl-quinazolin-2-yl)propyl]-1-phenethyl-urea Formula: C36H40N4O2 MolecularWeight: 560.7284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)N(CCC4=CC=CC=C4)C(=O)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)N(CCC4=CC=CC=C4)C(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C36H40N4O2/c1-2-32(33-37-31-16-10-9-15-30(31)34(41)40(33)29-13-7-4-8-14-29)39(18-17-25-11-5-3-6-12-25)35(42)38-36-22-26-19-27(23-36)21-28(20-26)24-36/h3-16,26-28,32H,2,17-24H2,1H3,(H,38,42)