2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-1-yl)-1-butanone IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one Formula: C18H27ClN2O2 MolecularWeight: 338.87218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCN(CC1)C)OC2=CC(=C(C(=C2)C)Cl)C

Isomeric SMILES

CCC(C(=O)N1CCCN(CC1)C)OC2=CC(=C(C(=C2)C)Cl)C

InChI

InChI=1S/C18H27ClN2O2/c1-5-16(18(22)21-8-6-7-20(4)9-10-21)23-15-11-13(2)17(19)14(3)12-15/h11-12,16H,5-10H2,1-4H3