1-(azepan-1-yl)-4-(4-chloranyl-3-methyl-phenoxy)butan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClNO2/c1-14-13-15(8-9-16(14)18)21-12-6-7-17(20)19-10-4-2-3-5-11-19/h8-9,13H,2-7,10-12H2,1H3