3-(azepan-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one

Systemtic Name: 3-(azepan-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one Openeye Name: 3-(azepan-1-yl)-1-(4-isobutoxyphenyl)propan-1-one CAS Name: 3-(1-azepanyl)-1-[4-(2-methylpropoxy)phenyl]-1-propanone IUPAC Name: 3-(azepan-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one Traditional Name: 3-(azepan-1-yl)-1-(4-isobutoxyphenyl)propan-1-one Formula: C19H29NO2 MolecularWeight: 303.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)CCN2CCCCCC2

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)CCN2CCCCCC2

InChI

InChI=1S/C19H29NO2/c1-16(2)15-22-18-9-7-17(8-10-18)19(21)11-14-20-12-5-3-4-6-13-20/h7-10,16H,3-6,11-15H2,1-2H3