4-[[[2-(isoquinolin-3-ylcarbamoyl)phenyl]amino]methyl]-N-(3-oxidanylpropyl)pyridine-2-carboxamide

Systemtic Name: 4-[[[2-(isoquinolin-3-ylcarbamoyl)phenyl]amino]methyl]-N-(3-oxidanylpropyl)pyridine-2-carboxamide Openeye Name: N-(3-hydroxypropyl)-4-[[2-(3-isoquinolylcarbamoyl)anilino]methyl]pyridine-2-carboxamide CAS Name: N-(3-hydroxypropyl)-4-[[2-[(3-isoquinolinylamino)-oxomethyl]anilino]methyl]-2-pyridinecarboxamide IUPAC Name: N-(3-hydroxypropyl)-4-[[2-(isoquinolin-3-ylcarbamoyl)anilino]methyl]pyridine-2-carboxamide Traditional Name: N-(3-hydroxypropyl)-4-[[2-(3-isoquinolylcarbamoyl)anilino]methyl]picolinamide Formula: C26H25N5O3 MolecularWeight: 455.5084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=CC=CC=C3NCC4=CC(=NC=C4)C(=O)NCCCO

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=CC=CC=C3NCC4=CC(=NC=C4)C(=O)NCCCO

InChI

InChI=1S/C26H25N5O3/c32-13-5-11-28-26(34)23-14-18(10-12-27-23)16-29-22-9-4-3-8-21(22)25(33)31-24-15-19-6-1-2-7-20(19)17-30-24/h1-4,6-10,12,14-15,17,29,32H,5,11,13,16H2,(H,28,34)(H,30,31,33)