3-azanyl-1-[(2,6-dimethylphenyl)methyl]azepan-2-one

Systemtic Name: 3-azanyl-1-[(2,6-dimethylphenyl)methyl]azepan-2-one Openeye Name: 3-amino-1-[(2,6-dimethylphenyl)methyl]azepan-2-one CAS Name: 3-amino-1-[(2,6-dimethylphenyl)methyl]-2-azepanone IUPAC Name: 3-amino-1-[(2,6-dimethylphenyl)methyl]azepan-2-one Traditional Name: 3-amino-1-(2,6-dimethylbenzyl)azepan-2-one Formula: C15H22N2O MolecularWeight: 246.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CN2CCCCC(C2=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)CN2CCCCC(C2=O)N

InChI

InChI=1S/C15H22N2O/c1-11-6-5-7-12(2)13(11)10-17-9-4-3-8-14(16)15(17)18/h5-7,14H,3-4,8-10,16H2,1-2H3