1-(1-methyl-4-phenyl-azepan-4-yl)ethanone hydrate

Systemtic Name: 1-(1-methyl-4-phenyl-azepan-4-yl)ethanone hydrate Openeye Name: 1-(1-methyl-4-phenyl-azepan-4-yl)ethanone hydrate CAS Name: 1-(1-methyl-4-phenyl-4-azepanyl)ethanone hydrate IUPAC Name: 1-(1-methyl-4-phenylazepan-4-yl)ethanone hydrate Traditional Name: 1-(1-methyl-4-phenyl-azepan-4-yl)ethanone hydrate Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2.O

Isomeric SMILES

CC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2.O

InChI

InChI=1S/C15H21NO.H2O/c1-13(17)15(14-7-4-3-5-8-14)9-6-11-16(2)12-10-15;/h3-5,7-8H,6,9-12H2,1-2H3;1H2