1-[2-(1-adamantyl)ethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-1-[(E)-cinnamyl]-3-[3-(4-pyridyl)propyl]urea CAS Name: 1-[2-(1-adamantyl)ethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)urea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)urea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-[(E)-cinnamyl]-3-[3-(4-pyridyl)propyl]urea Formula: C30H39N3O MolecularWeight: 457.65016

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCN(CC=CC4=CC=CC=C4)C(=O)NCCCC5=CC=NC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCN(C/C=C/C4=CC=CC=C4)C(=O)NCCCC5=CC=NC=C5

InChI

InChI=1S/C30H39N3O/c34-29(32-13-4-8-25-10-14-31-15-11-25)33(16-5-9-24-6-2-1-3-7-24)17-12-30-21-26-18-27(22-30)20-28(19-26)23-30/h1-3,5-7,9-11,14-15,26-28H,4,8,12-13,16-23H2,(H,32,34)/b9-5+