1-[4-(aminomethyl)-2-methyl-phenyl]azepan-2-one

Systemtic Name: 1-[4-(aminomethyl)-2-methyl-phenyl]azepan-2-one Openeye Name: 1-[4-(aminomethyl)-2-methyl-phenyl]azepan-2-one CAS Name: 1-[4-(aminomethyl)-2-methylphenyl]-2-azepanone IUPAC Name: 1-[4-(aminomethyl)-2-methylphenyl]azepan-2-one Traditional Name: 1-[4-(aminomethyl)-2-methyl-phenyl]azepan-2-one Formula: C14H20N2O MolecularWeight: 232.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN)N2CCCCCC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)CN)N2CCCCCC2=O

InChI

InChI=1S/C14H20N2O/c1-11-9-12(10-15)6-7-13(11)16-8-4-2-3-5-14(16)17/h6-7,9H,2-5,8,10,15H2,1H3