3-[(3-ethynylphenyl)amino]azepan-2-one

Systemtic Name: 3-[(3-ethynylphenyl)amino]azepan-2-one Openeye Name: 3-(3-ethynylanilino)azepan-2-one CAS Name: 3-(3-ethynylanilino)-2-azepanone IUPAC Name: 3-(3-ethynylanilino)azepan-2-one Traditional Name: 3-(3-ethynylanilino)azepan-2-one Formula: C14H16N2O MolecularWeight: 228.28964

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2CCCCNC2=O

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2CCCCNC2=O

InChI

InChI=1S/C14H16N2O/c1-2-11-6-5-7-12(10-11)16-13-8-3-4-9-15-14(13)17/h1,5-7,10,13,16H,3-4,8-9H2,(H,15,17)