2-piperazin-1-yl-5-[2-[(E)-2-pyridin-4-ylethenyl]pyridin-4-yl]-1H-pyrrole-3-carbonitrile

Systemtic Name: 2-piperazin-1-yl-5-[2-[(E)-2-pyridin-4-ylethenyl]pyridin-4-yl]-1H-pyrrole-3-carbonitrile Openeye Name: 2-piperazin-1-yl-5-[2-[(E)-2-(4-pyridyl)vinyl]-4-pyridyl]-1H-pyrrole-3-carbonitrile CAS Name: 2-(1-piperazinyl)-5-[2-[(E)-2-pyridin-4-ylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile IUPAC Name: 2-piperazin-1-yl-5-[2-[(E)-2-pyridin-4-ylethenyl]pyridin-4-yl]-1H-pyrrole-3-carbonitrile Traditional Name: 2-piperazino-5-[2-[(E)-2-(4-pyridyl)vinyl]-4-pyridyl]-1H-pyrrole-3-carbonitrile Formula: C21H20N6 MolecularWeight: 356.4237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(N2)C3=CC(=NC=C3)C=CC4=CC=NC=C4)C#N

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(N2)C3=CC(=NC=C3)/C=C/C4=CC=NC=C4)C#N

InChI

InChI=1S/C21H20N6/c22-15-18-14-20(26-21(18)27-11-9-24-10-12-27)17-5-8-25-19(13-17)2-1-16-3-6-23-7-4-16/h1-8,13-14,24,26H,9-12H2/b2-1+