N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-6-morpholin-4-yl-pyridine-3-carboxamide

Systemtic Name: N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-6-morpholin-4-yl-pyridine-3-carboxamide Openeye Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-6-morpholino-pyridine-3-carboxamide CAS Name: N-[3-[(1-amino-7-isoquinolinyl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-6-(4-morpholinyl)-3-pyridinecarboxamide IUPAC Name: N-[3-[(1-aminoisoquinolin-7-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-6-morpholin-4-ylpyridine-3-carboxamide Traditional Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-6-morpholino-nicotinamide Formula: C28H28N6O4 MolecularWeight: 512.55972

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C(C(=O)NC4=CC5=C(C=C4)C=CN=C5N)O

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C(C(=O)NC4=CC5=C(C=C4)C=CN=C5N)O

InChI

InChI=1S/C28H28N6O4/c29-26-22-16-21(8-6-18(22)10-11-30-26)32-28(37)25(35)24(19-4-2-1-3-5-19)33-27(36)20-7-9-23(31-17-20)34-12-14-38-15-13-34/h1-11,16-17,24-25,35H,12-15H2,(H2,29,30)(H,32,37)(H,33,36)