2-(3,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one Openeye Name: 2-(3,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one CAS Name: 2-(3,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-1-yl)-1-butanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one Traditional Name: 2-(3,5-dimethylphenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one Formula: C18H28N2O2 MolecularWeight: 304.42712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-5-17(22-16-12-14(2)11-15(3)13-16)18(21)20-8-6-7-19(4)9-10-20/h11-13,17H,5-10H2,1-4H3