2-[3-(4-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 2-[3-(4-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzenecarbonitrile Openeye Name: 2-[3-(4-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzonitrile CAS Name: 2-[3-(4-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzonitrile IUPAC Name: 2-[3-(4-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzonitrile Traditional Name: 2-[3-(4-iodophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzonitrile Formula: C18H13IN4 MolecularWeight: 412.22709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NN2C3=CC=CC=C3C#N)C4=CC=C(C=C4)I

Isomeric SMILES

C1CN=C2C1=C(NN2C3=CC=CC=C3C#N)C4=CC=C(C=C4)I

InChI

InChI=1S/C18H13IN4/c19-14-7-5-12(6-8-14)17-15-9-10-21-18(15)23(22-17)16-4-2-1-3-13(16)11-20/h1-8,22H,9-10H2