N-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide hydrate hydrochloride

Systemtic Name: N-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide hydrate hydrochloride Openeye Name: N-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide hydrate hydrochloride CAS Name: N-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrrolidinyl]-1-adamantanecarboxamide hydrate hydrochloride IUPAC Name: N-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide hydrate hydrochloride Traditional Name: N-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide hydrate hydrochloride Formula: C24H34ClF3N2O2 MolecularWeight: 474.98717

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C23CC4CC(C2)CC(C4)C3)CCC5=CC(=CC=C5)C(F)(F)F.O.Cl

Isomeric SMILES

C1CN(CC1NC(=O)C23CC4CC(C2)CC(C4)C3)CCC5=CC(=CC=C5)C(F)(F)F.O.Cl

InChI

InChI=1S/C24H31F3N2O.ClH.H2O/c25-24(26,27)20-3-1-2-16(11-20)4-6-29-7-5-21(15-29)28-22(30)23-12-17-8-18(13-23)10-19(9-17)14-23;;/h1-3,11,17-19,21H,4-10,12-15H2,(H,28,30);1H;1H2