2-[[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-pyridin-4-ylbut-3-enyl]benzamide

Systemtic Name: 2-[[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-pyridin-4-ylbut-3-enyl]benzamide Openeye Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-(4-pyridyl)but-3-enyl]benzamide CAS Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-pyridin-4-ylbut-3-enyl]benzamide IUPAC Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-pyridin-4-ylbut-3-enyl]benzamide Traditional Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-(4-pyridyl)but-3-enyl]benzamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCCC2=CNC3=C2C=C(C=C3)O)C(=O)NCCC=CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C(=C1)CNCCC2=CNC3=C2C=C(C=C3)O)C(=O)NCC/C=C/C4=CC=NC=C4

InChI

InChI=1S/C27H28N4O2/c32-23-8-9-26-25(17-23)22(19-31-26)12-16-29-18-21-6-1-2-7-24(21)27(33)30-13-4-3-5-20-10-14-28-15-11-20/h1-3,5-11,14-15,17,19,29,31-32H,4,12-13,16,18H2,(H,30,33)/b5-3+