5-bromanyl-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]nicotinamide Formula: C25H23BrN4O2 MolecularWeight: 491.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H23BrN4O2/c26-21-16-20(17-27-18-21)25(32)28-22-7-9-23(10-8-22)29-12-14-30(15-13-29)24(31)11-6-19-4-2-1-3-5-19/h1-11,16-18H,12-15H2,(H,28,32)/b11-6+