3-(1-adamantyl)-1-hexyl-1-[1-(3-naphthalen-2-yl-4-oxidanylidene-quinazolin-2-yl)ethyl]urea

Systemtic Name: 3-(1-adamantyl)-1-hexyl-1-[1-(3-naphthalen-2-yl-4-oxidanylidene-quinazolin-2-yl)ethyl]urea Openeye Name: 3-(1-adamantyl)-1-hexyl-1-[1-[3-(2-naphthyl)-4-oxo-quinazolin-2-yl]ethyl]urea CAS Name: 3-(1-adamantyl)-1-hexyl-1-[1-[3-(2-naphthalenyl)-4-oxo-2-quinazolinyl]ethyl]urea IUPAC Name: 3-(1-adamantyl)-1-hexyl-1-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]urea Traditional Name: 3-(1-adamantyl)-1-hexyl-1-[1-[4-keto-3-(2-naphthyl)quinazolin-2-yl]ethyl]urea Formula: C37H44N4O2 MolecularWeight: 576.77086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC4=CC=CC=C4C=C3)C(=O)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCCCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC4=CC=CC=C4C=C3)C(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C37H44N4O2/c1-3-4-5-10-17-40(36(43)39-37-22-26-18-27(23-37)20-28(19-26)24-37)25(2)34-38-33-14-9-8-13-32(33)35(42)41(34)31-16-15-29-11-6-7-12-30(29)21-31/h6-9,11-16,21,25-28H,3-5,10,17-20,22-24H2,1-2H3,(H,39,43)