N-(3-ethynylphenyl)-4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

Systemtic Name: N-(3-ethynylphenyl)-4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide Openeye Name: N-(3-ethynylphenyl)-4-oxo-4-tetralin-6-yl-butanamide CAS Name: N-(3-ethynylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide IUPAC Name: N-(3-ethynylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide Traditional Name: N-(3-ethynylphenyl)-4-keto-4-tetralin-6-yl-butyramide Formula: C22H21NO2 MolecularWeight: 331.40764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CCC(=O)C2=CC3=C(CCCC3)C=C2

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CCC(=O)C2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C22H21NO2/c1-2-16-6-5-9-20(14-16)23-22(25)13-12-21(24)19-11-10-17-7-3-4-8-18(17)15-19/h1,5-6,9-11,14-15H,3-4,7-8,12-13H2,(H,23,25)