N-[4-[[[2-(isoquinolin-3-ylcarbamoyl)phenyl]amino]methyl]pyridin-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[4-[[[2-(isoquinolin-3-ylcarbamoyl)phenyl]amino]methyl]pyridin-2-yl]morpholine-4-carboxamide Openeye Name: N-[4-[[2-(3-isoquinolylcarbamoyl)anilino]methyl]-2-pyridyl]morpholine-4-carboxamide CAS Name: N-[4-[[2-[(3-isoquinolinylamino)-oxomethyl]anilino]methyl]-2-pyridinyl]-4-morpholinecarboxamide IUPAC Name: N-[4-[[2-(isoquinolin-3-ylcarbamoyl)anilino]methyl]pyridin-2-yl]morpholine-4-carboxamide Traditional Name: N-[4-[[2-(3-isoquinolylcarbamoyl)anilino]methyl]-2-pyridyl]morpholine-4-carboxamide Formula: C27H26N6O3 MolecularWeight: 482.53374

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)NC2=NC=CC(=C2)CNC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5C=N4

Isomeric SMILES

C1COCCN1C(=O)NC2=NC=CC(=C2)CNC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C27H26N6O3/c34-26(31-25-16-20-5-1-2-6-21(20)18-30-25)22-7-3-4-8-23(22)29-17-19-9-10-28-24(15-19)32-27(35)33-11-13-36-14-12-33/h1-10,15-16,18,29H,11-14,17H2,(H,28,32,35)(H,30,31,34)