(E)-3-[4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[4-[4-cyano-5-(1-piperazinyl)-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[4-(4-cyano-5-piperazino-1H-pyrrol-2-yl)-2-pyridyl]phenyl]acrylic acid Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2/c24-15-19-14-21(27-23(19)28-11-9-25-10-12-28)18-7-8-26-20(13-18)17-4-1-16(2-5-17)3-6-22(29)30/h1-8,13-14,25,27H,9-12H2,(H,29,30)/b6-3+