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

Systemtic Name: 2-[[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-pyridin-3-ylbut-3-enyl]benzamide Openeye Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-(3-pyridyl)but-3-enyl]benzamide CAS Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-(3-pyridinyl)but-3-enyl]benzamide IUPAC Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-pyridin-3-ylbut-3-enyl]benzamide Traditional Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2/c32-23-10-11-26-25(16-23)22(19-31-26)12-15-29-18-21-8-1-2-9-24(21)27(33)30-14-4-3-6-20-7-5-13-28-17-20/h1-3,5-11,13,16-17,19,29,31-32H,4,12,14-15,18H2,(H,30,33)/b6-3+