3-(5-phenylpent-4-ynyl)azepan-2-one

Systemtic Name: 3-(5-phenylpent-4-ynyl)azepan-2-one Openeye Name: 3-(5-phenylpent-4-ynyl)azepan-2-one CAS Name: 3-(5-phenylpent-4-ynyl)-2-azepanone IUPAC Name: 3-(5-phenylpent-4-ynyl)azepan-2-one Traditional Name: 3-(5-phenylpent-4-ynyl)azepan-2-one Formula: C17H21NO MolecularWeight: 255.35474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)CCCC#CC2=CC=CC=C2

Isomeric SMILES

C1CCNC(=O)C(C1)CCCC#CC2=CC=CC=C2

InChI

InChI=1S/C17H21NO/c19-17-16(13-7-8-14-18-17)12-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,6-8,12-14H2,(H,18,19)