N-(3-ethynylphenyl)azepane-1-carboxamide

Systemtic Name: N-(3-ethynylphenyl)azepane-1-carboxamide Openeye Name: N-(3-ethynylphenyl)azepane-1-carboxamide CAS Name: N-(3-ethynylphenyl)-1-azepanecarboxamide IUPAC Name: N-(3-ethynylphenyl)azepane-1-carboxamide Traditional Name: N-(3-ethynylphenyl)azepane-1-carboxamide Formula: C15H18N2O MolecularWeight: 242.31622

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)N2CCCCCC2

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)N2CCCCCC2

InChI

InChI=1S/C15H18N2O/c1-2-13-8-7-9-14(12-13)16-15(18)17-10-5-3-4-6-11-17/h1,7-9,12H,3-6,10-11H2,(H,16,18)