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

Systemtic Name: 3-[[4-(aminomethyl)phenyl]-propyl-amino]azepan-2-one Openeye Name: 3-[4-(aminomethyl)-N-propyl-anilino]azepan-2-one CAS Name: 3-[4-(aminomethyl)-N-propylanilino]-2-azepanone IUPAC Name: 3-[4-(aminomethyl)-N-propylanilino]azepan-2-one Traditional Name: 3-[4-(aminomethyl)-N-propyl-anilino]azepan-2-one Formula: C16H25N3O MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-2-11-19(14-8-6-13(12-17)7-9-14)15-5-3-4-10-18-16(15)20/h6-9,15H,2-5,10-12,17H2,1H3,(H,18,20)