1-(azepan-1-yl)-4-(2,3-dimethylphenoxy)butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-(2,3-dimethylphenoxy)butan-1-one Openeye Name: 1-(azepan-1-yl)-4-(2,3-dimethylphenoxy)butan-1-one CAS Name: 1-(1-azepanyl)-4-(2,3-dimethylphenoxy)-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-(2,3-dimethylphenoxy)butan-1-one Traditional Name: 1-(azepan-1-yl)-4-(2,3-dimethylphenoxy)butan-1-one Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCC(=O)N2CCCCCC2)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCC(=O)N2CCCCCC2)C

InChI

InChI=1S/C18H27NO2/c1-15-9-7-10-17(16(15)2)21-14-8-11-18(20)19-12-5-3-4-6-13-19/h7,9-10H,3-6,8,11-14H2,1-2H3