3-(1-adamantyl)-1-(2-methyl-3-phenyl-prop-2-enyl)-1-(3-morpholin-4-ylpropyl)urea

Systemtic Name: 3-(1-adamantyl)-1-(2-methyl-3-phenyl-prop-2-enyl)-1-(3-morpholin-4-ylpropyl)urea Openeye Name: 3-(1-adamantyl)-1-(2-methyl-3-phenyl-allyl)-1-(3-morpholinopropyl)urea CAS Name: 3-(1-adamantyl)-1-(2-methyl-3-phenylprop-2-enyl)-1-[3-(4-morpholinyl)propyl]urea IUPAC Name: 3-(1-adamantyl)-1-(2-methyl-3-phenylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)urea Traditional Name: 3-(1-adamantyl)-1-(2-methyl-3-phenyl-allyl)-1-(3-morpholinopropyl)urea Formula: C28H41N3O2 MolecularWeight: 451.64404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN(CCCN2CCOCC2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=CC1=CC=CC=C1)CN(CCCN2CCOCC2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H41N3O2/c1-22(14-23-6-3-2-4-7-23)21-31(9-5-8-30-10-12-33-13-11-30)27(32)29-28-18-24-15-25(19-28)17-26(16-24)20-28/h2-4,6-7,14,24-26H,5,8-13,15-21H2,1H3,(H,29,32)