(phenylmethyl) 4-[5-[[(E)-3-phenylprop-2-enoyl]amino]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-[[(E)-3-phenylprop-2-enoyl]amino]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-[[(E)-3-phenylprop-2-enoyl]amino]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-2-pyridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-[[(E)-3-phenylprop-2-enoyl]amino]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[[(E)-3-phenylacryloyl]amino]-2-pyridyl]piperazine-1-carboxylic acid benzyl ester Formula: C26H26N4O3 MolecularWeight: 442.50964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C=CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3/c31-25(14-11-21-7-3-1-4-8-21)28-23-12-13-24(27-19-23)29-15-17-30(18-16-29)26(32)33-20-22-9-5-2-6-10-22/h1-14,19H,15-18,20H2,(H,28,31)/b14-11+