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

Systemtic Name: 6-azanyl-4-[(3-ethynylphenyl)amino]quinoline-3-carbonitrile Openeye Name: 6-amino-4-(3-ethynylanilino)quinoline-3-carbonitrile CAS Name: 6-amino-4-(3-ethynylanilino)-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-(3-ethynylanilino)quinoline-3-carbonitrile Traditional Name: 6-amino-4-(3-ethynylanilino)quinoline-3-carbonitrile Formula: C18H12N4 MolecularWeight: 284.31468

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=C3C=C(C=CC3=NC=C2C#N)N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=C3C=C(C=CC3=NC=C2C#N)N

InChI

InChI=1S/C18H12N4/c1-2-12-4-3-5-15(8-12)22-18-13(10-19)11-21-17-7-6-14(20)9-16(17)18/h1,3-9,11H,20H2,(H,21,22)