2-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(E)-3-[1-(2-cyanoethyl)-3-indolyl]-1-oxoprop-2-enyl]-1-piperazinyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]acryloyl]piperazino]-N-(3-fluorophenyl)acetamide Formula: C26H26FN5O2 MolecularWeight: 459.515343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)C(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)C(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C26H26FN5O2/c27-21-5-3-6-22(17-21)29-25(33)19-30-13-15-31(16-14-30)26(34)10-9-20-18-32(12-4-11-28)24-8-2-1-7-23(20)24/h1-3,5-10,17-18H,4,12-16,19H2,(H,29,33)/b10-9+