(3S)-3-(2-cyclopropylethyl)-3-(3-hydroxyphenyl)-1-methyl-azepan-2-one

Systemtic Name: (3S)-3-(2-cyclopropylethyl)-3-(3-hydroxyphenyl)-1-methyl-azepan-2-one Openeye Name: (3S)-3-(2-cyclopropylethyl)-3-(3-hydroxyphenyl)-1-methyl-azepan-2-one CAS Name: (3S)-3-(2-cyclopropylethyl)-3-(3-hydroxyphenyl)-1-methyl-2-azepanone IUPAC Name: (3S)-3-(2-cyclopropylethyl)-3-(3-hydroxyphenyl)-1-methylazepan-2-one Traditional Name: (3S)-3-(2-cyclopropylethyl)-3-(3-hydroxyphenyl)-1-methyl-azepan-2-one Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1=O)(CCC2CC2)C3=CC(=CC=C3)O

Isomeric SMILES

CN1CCCC[C@](C1=O)(CCC2CC2)C3=CC(=CC=C3)O

InChI

InChI=1S/C18H25NO2/c1-19-12-3-2-10-18(17(19)21,11-9-14-7-8-14)15-5-4-6-16(20)13-15/h4-6,13-14,20H,2-3,7-12H2,1H3/t18-/m0/s1