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

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-azanyl-3-(3-pyridin-4-ylpropyl)urea dihydrochloride Openeye Name: 1-[2-(1-adamantyl)ethyl]-1-amino-3-[3-(4-pyridyl)propyl]urea dihydrochloride CAS Name: 1-[2-(1-adamantyl)ethyl]-1-amino-3-(3-pyridin-4-ylpropyl)urea dihydrochloride IUPAC Name: 1-[2-(1-adamantyl)ethyl]-1-amino-3-(3-pyridin-4-ylpropyl)urea dihydrochloride Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amino-3-[3-(4-pyridyl)propyl]urea dihydrochloride Formula: C21H34Cl2N4O MolecularWeight: 429.42686

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCN(C(=O)NCCCC4=CC=NC=C4)N.Cl.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCN(C(=O)NCCCC4=CC=NC=C4)N.Cl.Cl

InChI

InChI=1S/C21H32N4O.2ClH/c22-25(20(26)24-6-1-2-16-3-7-23-8-4-16)9-5-21-13-17-10-18(14-21)12-19(11-17)15-21;;/h3-4,7-8,17-19H,1-2,5-6,9-15,22H2,(H,24,26);2*1H