N-(2-azanyl-2-oxidanylidene-1-phenyl-1-piperidin-1-yl-ethyl)-4-(3-hydroxyphenyl)-3-methyl-pentanamide hydrate hydrochloride

Systemtic Name: N-(2-azanyl-2-oxidanylidene-1-phenyl-1-piperidin-1-yl-ethyl)-4-(3-hydroxyphenyl)-3-methyl-pentanamide hydrate hydrochloride Openeye Name: N-[2-amino-2-oxo-1-phenyl-1-(1-piperidyl)ethyl]-4-(3-hydroxyphenyl)-3-methyl-pentanamide hydrate hydrochloride CAS Name: N-[2-amino-2-oxo-1-phenyl-1-(1-piperidinyl)ethyl]-4-(3-hydroxyphenyl)-3-methylpentanamide hydrate hydrochloride IUPAC Name: N-(2-amino-2-oxo-1-phenyl-1-piperidin-1-ylethyl)-4-(3-hydroxyphenyl)-3-methylpentanamide hydrate hydrochloride Traditional Name: N-(2-amino-2-keto-1-phenyl-1-piperidino-ethyl)-4-(3-hydroxyphenyl)-3-methyl-valeramide hydrate hydrochloride Formula: C25H36ClN3O4 MolecularWeight: 478.02404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(C1=CC=CC=C1)(C(=O)N)N2CCCCC2)C(C)C3=CC(=CC=C3)O.O.Cl

Isomeric SMILES

CC(CC(=O)NC(C1=CC=CC=C1)(C(=O)N)N2CCCCC2)C(C)C3=CC(=CC=C3)O.O.Cl

InChI

InChI=1S/C25H33N3O3.ClH.H2O/c1-18(19(2)20-10-9-13-22(29)17-20)16-23(30)27-25(24(26)31,21-11-5-3-6-12-21)28-14-7-4-8-15-28;;/h3,5-6,9-13,17-19,29H,4,7-8,14-16H2,1-2H3,(H2,26,31)(H,27,30);1H;1H2