(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-ethynylphenyl)ethanone

Systemtic Name: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-ethynylphenyl)ethanone Openeye Name: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-ethynylphenyl)ethanone CAS Name: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-ethynylphenyl)ethanone IUPAC Name: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-ethynylphenyl)ethanone Traditional Name: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-ethynylphenyl)ethanone Formula: C21H19NO MolecularWeight: 301.38166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=CC(=O)C3=CC=C(C=C3)C#C)N1)C

Isomeric SMILES

CC1(CC2=CC=CC=C2/C(=C/C(=O)C3=CC=C(C=C3)C#C)/N1)C

InChI

InChI=1S/C21H19NO/c1-4-15-9-11-16(12-10-15)20(23)13-19-18-8-6-5-7-17(18)14-21(2,3)22-19/h1,5-13,22H,14H2,2-3H3/b19-13-