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

Systemtic Name: 2-piperazin-1-yl-5-[2-[(E)-2-pyridin-3-ylethenyl]pyridin-4-yl]-1H-pyrrole-3-carboxamide Openeye Name: 2-piperazin-1-yl-5-[2-[(E)-2-(3-pyridyl)vinyl]-4-pyridyl]-1H-pyrrole-3-carboxamide CAS Name: 2-(1-piperazinyl)-5-[2-[(E)-2-(3-pyridinyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide IUPAC Name: 2-piperazin-1-yl-5-[2-[(E)-2-pyridin-3-ylethenyl]pyridin-4-yl]-1H-pyrrole-3-carboxamide Traditional Name: 2-piperazino-5-[2-[(E)-2-(3-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=CN=CC=C4)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O/c22-20(28)18-13-19(26-21(18)27-10-8-23-9-11-27)16-5-7-25-17(12-16)4-3-15-2-1-6-24-14-15/h1-7,12-14,23,26H,8-11H2,(H2,22,28)/b4-3+