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

Systemtic Name: 2-piperazin-1-yl-5-[2-[(E)-2-pyridin-4-ylethenyl]pyridin-4-yl]-1H-pyrrole-3-carboxamide Openeye Name: 2-piperazin-1-yl-5-[2-[(E)-2-(4-pyridyl)vinyl]-4-pyridyl]-1H-pyrrole-3-carboxamide CAS Name: 2-(1-piperazinyl)-5-[2-[(E)-2-pyridin-4-ylethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide IUPAC Name: 2-piperazin-1-yl-5-[2-[(E)-2-pyridin-4-ylethenyl]pyridin-4-yl]-1H-pyrrole-3-carboxamide Traditional Name: 2-piperazino-5-[2-[(E)-2-(4-pyridyl)vinyl]-4-pyridyl]-1H-pyrrole-3-carboxamide Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O/c22-20(28)18-14-19(26-21(18)27-11-9-24-10-12-27)16-5-8-25-17(13-16)2-1-15-3-6-23-7-4-15/h1-8,13-14,24,26H,9-12H2,(H2,22,28)/b2-1+