1-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexane-1-carboxamide hydrate hydrochloride

Systemtic Name: 1-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexane-1-carboxamide hydrate hydrochloride Openeye Name: 1-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide hydrate hydrochloride CAS Name: 1-phenyl-N-[4-(1-pyrrolidinyl)but-2-ynyl]-1-cyclohexanecarboxamide hydrate hydrochloride IUPAC Name: 1-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexane-1-carboxamide hydrate hydrochloride Traditional Name: 1-phenyl-N-(4-pyrrolidinobut-2-ynyl)cyclohexanecarboxamide hydrate hydrochloride Formula: C21H31ClN2O2 MolecularWeight: 378.93604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC=CC=C2)C(=O)NCC#CCN3CCCC3.O.Cl

Isomeric SMILES

C1CCC(CC1)(C2=CC=CC=C2)C(=O)NCC#CCN3CCCC3.O.Cl

InChI

InChI=1S/C21H28N2O.ClH.H2O/c24-20(22-15-7-8-16-23-17-9-10-18-23)21(13-5-2-6-14-21)19-11-3-1-4-12-19;;/h1,3-4,11-12H,2,5-6,9-10,13-18H2,(H,22,24);1H;1H2