4-[(3-ethynylphenyl)amino]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-ethynylphenyl)amino]quinoline-3-carbonitrile Openeye Name: 4-(3-ethynylanilino)quinoline-3-carbonitrile CAS Name: 4-(3-ethynylanilino)-3-quinolinecarbonitrile IUPAC Name: 4-(3-ethynylanilino)quinoline-3-carbonitrile Traditional Name: 4-(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=C(C=NC3=CC=CC=C32)C#N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=C(C=NC3=CC=CC=C32)C#N

InChI

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