4-[2-(3,7-dimethylpyrrolo[1,2-a]pyrazin-1-yl)ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-(3,7-dimethylpyrrolo[1,2-a]pyrazin-1-yl)ethynyl]benzenecarbonitrile Openeye Name: 4-[2-(3,7-dimethylpyrrolo[1,2-a]pyrazin-1-yl)ethynyl]benzonitrile CAS Name: 4-[2-(3,7-dimethyl-1-pyrrolo[1,2-a]pyrazinyl)ethynyl]benzonitrile IUPAC Name: 4-[2-(3,7-dimethylpyrrolo[1,2-a]pyrazin-1-yl)ethynyl]benzonitrile Traditional Name: 4-[2-(3,7-dimethylpyrrolo[1,2-a]pyrazin-1-yl)ethynyl]benzonitrile Formula: C18H13N3 MolecularWeight: 271.31592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C=C(N=C(C2=C1)C#CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CN2C=C(N=C(C2=C1)C#CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C18H13N3/c1-13-9-18-17(20-14(2)12-21(18)11-13)8-7-15-3-5-16(10-19)6-4-15/h3-6,9,11-12H,1-2H3