1-[2-(1-adamantyl)ethyl]-1-(cyclopentylmethyl)-3-(3-pyridin-4-ylpropyl)urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-(cyclopentylmethyl)-3-(3-pyridin-4-ylpropyl)urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-1-(cyclopentylmethyl)-3-[3-(4-pyridyl)propyl]urea CAS Name: 1-[2-(1-adamantyl)ethyl]-1-(cyclopentylmethyl)-3-(3-pyridin-4-ylpropyl)urea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-1-(cyclopentylmethyl)-3-(3-pyridin-4-ylpropyl)urea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-(cyclopentylmethyl)-3-[3-(4-pyridyl)propyl]urea Formula: C27H41N3O MolecularWeight: 423.63394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN(CCC23CC4CC(C2)CC(C4)C3)C(=O)NCCCC5=CC=NC=C5

Isomeric SMILES

C1CCC(C1)CN(CCC23CC4CC(C2)CC(C4)C3)C(=O)NCCCC5=CC=NC=C5

InChI

InChI=1S/C27H41N3O/c31-26(29-10-3-6-21-7-11-28-12-8-21)30(20-22-4-1-2-5-22)13-9-27-17-23-14-24(18-27)16-25(15-23)19-27/h7-8,11-12,22-25H,1-6,9-10,13-20H2,(H,29,31)