3-(1-adamantyl)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1-(2-morpholin-4-ylethyl)urea

Systemtic Name: 3-(1-adamantyl)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1-(2-morpholin-4-ylethyl)urea Openeye Name: 3-(1-adamantyl)-1-[(E)-2-methyl-3-phenyl-allyl]-1-(2-morpholinoethyl)urea CAS Name: 3-(1-adamantyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-[2-(4-morpholinyl)ethyl]urea IUPAC Name: 3-(1-adamantyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(2-morpholin-4-ylethyl)urea Traditional Name: 3-(1-adamantyl)-1-[(E)-2-methyl-3-phenyl-allyl]-1-(2-morpholinoethyl)urea Formula: C27H39N3O2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN(CCN2CCOCC2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN(CCN2CCOCC2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39N3O2/c1-21(13-22-5-3-2-4-6-22)20-30(8-7-29-9-11-32-12-10-29)26(31)28-27-17-23-14-24(18-27)16-25(15-23)19-27/h2-6,13,23-25H,7-12,14-20H2,1H3,(H,28,31)/b21-13+