N-(4-fluoranyl-1-oxidanylidene-1-phenyl-4-piperazin-1-yl-butan-2-yl)ethanamide; methoxybenzene; hydrate; hydrochloride

Systemtic Name: N-(4-fluoranyl-1-oxidanylidene-1-phenyl-4-piperazin-1-yl-butan-2-yl)ethanamide; methoxybenzene; hydrate; hydrochloride Openeye Name: anisole; N-(1-benzoyl-3-fluoro-3-piperazin-1-yl-propyl)acetamide; hydrate; hydrochloride CAS Name: N-[4-fluoro-1-oxo-1-phenyl-4-(1-piperazinyl)butan-2-yl]acetamide; methoxybenzene; hydrate; hydrochloride IUPAC Name: anisole; N-(4-fluoro-1-oxo-1-phenyl-4-piperazin-1-ylbutan-2-yl)acetamide; hydrate; hydrochloride Traditional Name: anisole; N-(1-benzoyl-3-fluoro-3-piperazino-propyl)acetamide; hydrate; hydrochloride Formula: C23H33ClFN3O4 MolecularWeight: 469.977223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(N1CCNCC1)F)C(=O)C2=CC=CC=C2.COC1=CC=CC=C1.O.Cl

Isomeric SMILES

CC(=O)NC(CC(N1CCNCC1)F)C(=O)C2=CC=CC=C2.COC1=CC=CC=C1.O.Cl

InChI

InChI=1S/C16H22FN3O2.C7H8O.ClH.H2O/c1-12(21)19-14(16(22)13-5-3-2-4-6-13)11-15(17)20-9-7-18-8-10-20;1-8-7-5-3-2-4-6-7;;/h2-6,14-15,18H,7-11H2,1H3,(H,19,21);2-6H,1H3;1H;1H2