4-[2-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]ethynyl]benzene-1,2-dicarbonitrile

Systemtic Name: 4-[2-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]ethynyl]benzene-1,2-dicarbonitrile Openeye Name: 4-[2-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]ethynyl]phthalonitrile CAS Name: 4-[2-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]ethynyl]benzene-1,2-dicarbonitrile IUPAC Name: 4-[2-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]ethynyl]benzene-1,2-dicarbonitrile Traditional Name: 4-[2-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]ethynyl]phthalonitrile Formula: C25H16N4 MolecularWeight: 372.42134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)C#N)C#N)C4=CC=CN4

Isomeric SMILES

C1=CNC(=C1)C(C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)C#N)C#N)C4=CC=CN4

InChI

InChI=1S/C25H16N4/c26-16-21-12-9-19(15-22(21)17-27)6-5-18-7-10-20(11-8-18)25(23-3-1-13-28-23)24-4-2-14-29-24/h1-4,7-15,25,28-29H