4-(2-methyl-4-quinolin-2-yl-but-3-yn-2-yl)oxybenzenecarbonitrile

Systemtic Name: 4-(2-methyl-4-quinolin-2-yl-but-3-yn-2-yl)oxybenzenecarbonitrile Openeye Name: 4-[1,1-dimethyl-3-(2-quinolyl)prop-2-ynoxy]benzonitrile CAS Name: 4-[2-methyl-4-(2-quinolinyl)but-3-yn-2-yl]oxybenzonitrile IUPAC Name: 4-(2-methyl-4-quinolin-2-ylbut-3-yn-2-yl)oxybenzonitrile Traditional Name: 4-[1,1-dimethyl-3-(2-quinolyl)prop-2-ynoxy]benzonitrile Formula: C21H16N2O MolecularWeight: 312.36454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=NC2=CC=CC=C2C=C1)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C#CC1=NC2=CC=CC=C2C=C1)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H16N2O/c1-21(2,24-19-11-7-16(15-22)8-12-19)14-13-18-10-9-17-5-3-4-6-20(17)23-18/h3-12H,1-2H3