N-[4-(diethylamino)but-2-ynyl]-1-phenyl-cyclohexane-1-carboxamide hydrate hydrochloride

Systemtic Name: N-[4-(diethylamino)but-2-ynyl]-1-phenyl-cyclohexane-1-carboxamide hydrate hydrochloride Openeye Name: N-[4-(diethylamino)but-2-ynyl]-1-phenyl-cyclohexanecarboxamide hydrate hydrochloride CAS Name: N-[4-(diethylamino)but-2-ynyl]-1-phenyl-1-cyclohexanecarboxamide hydrate hydrochloride IUPAC Name: N-[4-(diethylamino)but-2-ynyl]-1-phenylcyclohexane-1-carboxamide hydrate hydrochloride Traditional Name: N-[4-(diethylamino)but-2-ynyl]-1-phenyl-cyclohexanecarboxamide hydrate hydrochloride Formula: C21H33ClN2O2 MolecularWeight: 380.95192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCNC(=O)C1(CCCCC1)C2=CC=CC=C2.O.Cl

Isomeric SMILES

CCN(CC)CC#CCNC(=O)C1(CCCCC1)C2=CC=CC=C2.O.Cl

InChI

InChI=1S/C21H30N2O.ClH.H2O/c1-3-23(4-2)18-12-11-17-22-20(24)21(15-9-6-10-16-21)19-13-7-5-8-14-19;;/h5,7-8,13-14H,3-4,6,9-10,15-18H2,1-2H3,(H,22,24);1H;1H2