3-(3-azanyl-4-methyl-phenyl)-1-(azepan-1-yl)propan-1-one

Systemtic Name: 3-(3-azanyl-4-methyl-phenyl)-1-(azepan-1-yl)propan-1-one Openeye Name: 3-(3-amino-4-methyl-phenyl)-1-(azepan-1-yl)propan-1-one CAS Name: 3-(3-amino-4-methylphenyl)-1-(1-azepanyl)-1-propanone IUPAC Name: 3-(3-amino-4-methylphenyl)-1-(azepan-1-yl)propan-1-one Traditional Name: 3-(3-amino-4-methyl-phenyl)-1-(azepan-1-yl)propan-1-one Formula: C16H24N2O MolecularWeight: 260.37456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)N2CCCCCC2)N

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)N2CCCCCC2)N

InChI

InChI=1S/C16H24N2O/c1-13-6-7-14(12-15(13)17)8-9-16(19)18-10-4-2-3-5-11-18/h6-7,12H,2-5,8-11,17H2,1H3