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

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one CAS Name: 2-(4-chloro-3-methylphenoxy)-1-(4-methyl-1,4-diazepan-1-yl)-1-butanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one Formula: C17H25ClN2O2 MolecularWeight: 324.8456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O2/c1-4-16(22-14-6-7-15(18)13(2)12-14)17(21)20-9-5-8-19(3)10-11-20/h6-7,12,16H,4-5,8-11H2,1-3H3