1-(azepan-1-yl)-4-(4-chloranyl-3,5-dimethyl-phenoxy)butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-(4-chloranyl-3,5-dimethyl-phenoxy)butan-1-one Openeye Name: 1-(azepan-1-yl)-4-(4-chloro-3,5-dimethyl-phenoxy)butan-1-one CAS Name: 1-(1-azepanyl)-4-(4-chloro-3,5-dimethylphenoxy)-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-(4-chloro-3,5-dimethylphenoxy)butan-1-one Traditional Name: 1-(azepan-1-yl)-4-(4-chloro-3,5-dimethyl-phenoxy)butan-1-one Formula: C18H26ClNO2 MolecularWeight: 323.85754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)N2CCCCCC2

InChI

InChI=1S/C18H26ClNO2/c1-14-12-16(13-15(2)18(14)19)22-11-7-8-17(21)20-9-5-3-4-6-10-20/h12-13H,3-11H2,1-2H3