2-[(3-ethynylphenyl)amino]quinoline-3-carbonitrile

Systemtic Name: 2-[(3-ethynylphenyl)amino]quinoline-3-carbonitrile Openeye Name: 2-(3-ethynylanilino)quinoline-3-carbonitrile CAS Name: 2-(3-ethynylanilino)-3-quinolinecarbonitrile IUPAC Name: 2-(3-ethynylanilino)quinoline-3-carbonitrile Traditional Name: 2-(3-ethynylanilino)quinoline-3-carbonitrile Formula: C18H11N3 MolecularWeight: 269.30004

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3C=C2C#N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3C=C2C#N

InChI

InChI=1S/C18H11N3/c1-2-13-6-5-8-16(10-13)20-18-15(12-19)11-14-7-3-4-9-17(14)21-18/h1,3-11H,(H,20,21)