(2Z)-2-(7-ethynyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenyl-ethanone

Systemtic Name: (2Z)-2-(7-ethynyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenyl-ethanone Openeye Name: (2Z)-2-(7-ethynyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenyl-ethanone CAS Name: (2Z)-2-(7-ethynyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone IUPAC Name: (2Z)-2-(7-ethynyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone Traditional Name: (2Z)-2-(7-ethynyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenyl-ethanone Formula: C21H19NO MolecularWeight: 301.38166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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