3-[[4-(aminomethyl)phenyl]-methyl-amino]azepan-2-one

Systemtic Name: 3-[[4-(aminomethyl)phenyl]-methyl-amino]azepan-2-one Openeye Name: 3-[4-(aminomethyl)-N-methyl-anilino]azepan-2-one CAS Name: 3-[4-(aminomethyl)-N-methylanilino]-2-azepanone IUPAC Name: 3-[4-(aminomethyl)-N-methylanilino]azepan-2-one Traditional Name: 3-[4-(aminomethyl)-N-methyl-anilino]azepan-2-one Formula: C14H21N3O MolecularWeight: 247.33604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCNC1=O)C2=CC=C(C=C2)CN

Isomeric SMILES

CN(C1CCCCNC1=O)C2=CC=C(C=C2)CN

InChI

InChI=1S/C14H21N3O/c1-17(12-7-5-11(10-15)6-8-12)13-4-2-3-9-16-14(13)18/h5-8,13H,2-4,9-10,15H2,1H3,(H,16,18)