1-(azepan-1-yl)-4-chloranyl-2-(3-methoxyphenyl)butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-chloranyl-2-(3-methoxyphenyl)butan-1-one Openeye Name: 1-(azepan-1-yl)-4-chloro-2-(3-methoxyphenyl)butan-1-one CAS Name: 1-(1-azepanyl)-4-chloro-2-(3-methoxyphenyl)-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-chloro-2-(3-methoxyphenyl)butan-1-one Traditional Name: 1-(azepan-1-yl)-4-chloro-2-(3-methoxyphenyl)butan-1-one Formula: C17H24ClNO2 MolecularWeight: 309.83096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CCCl)C(=O)N2CCCCCC2

Isomeric SMILES

COC1=CC=CC(=C1)C(CCCl)C(=O)N2CCCCCC2

InChI

InChI=1S/C17H24ClNO2/c1-21-15-8-6-7-14(13-15)16(9-10-18)17(20)19-11-4-2-3-5-12-19/h6-8,13,16H,2-5,9-12H2,1H3