5-[[[2-(isoquinolin-3-ylcarbamoyl)phenyl]amino]methyl]-N-(3-oxidanylpropyl)pyridine-2-carboxamide

Systemtic Name: 5-[[[2-(isoquinolin-3-ylcarbamoyl)phenyl]amino]methyl]-N-(3-oxidanylpropyl)pyridine-2-carboxamide Openeye Name: N-(3-hydroxypropyl)-5-[[2-(3-isoquinolylcarbamoyl)anilino]methyl]pyridine-2-carboxamide CAS Name: N-(3-hydroxypropyl)-5-[[2-[(3-isoquinolinylamino)-oxomethyl]anilino]methyl]-2-pyridinecarboxamide IUPAC Name: N-(3-hydroxypropyl)-5-[[2-(isoquinolin-3-ylcarbamoyl)anilino]methyl]pyridine-2-carboxamide Traditional Name: N-(3-hydroxypropyl)-5-[[2-(3-isoquinolylcarbamoyl)anilino]methyl]picolinamide Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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