4-methyl-3-[7-(3-morpholin-4-ylpropyl)-1-oxidanylidene-isoquinolin-2-yl]-N-(1,2-oxazol-3-yl)benzamide

Systemtic Name: 4-methyl-3-[7-(3-morpholin-4-ylpropyl)-1-oxidanylidene-isoquinolin-2-yl]-N-(1,2-oxazol-3-yl)benzamide Openeye Name: N-isoxazol-3-yl-4-methyl-3-[7-(3-morpholinopropyl)-1-oxo-2-isoquinolyl]benzamide CAS Name: N-(3-isoxazolyl)-4-methyl-3-[7-[3-(4-morpholinyl)propyl]-1-oxo-2-isoquinolinyl]benzamide IUPAC Name: 4-methyl-3-[7-(3-morpholin-4-ylpropyl)-1-oxoisoquinolin-2-yl]-N-(1,2-oxazol-3-yl)benzamide Traditional Name: N-isoxazol-3-yl-3-[1-keto-7-(3-morpholinopropyl)-2-isoquinolyl]-4-methyl-benzamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)N3C=CC4=C(C3=O)C=C(C=C4)CCCN5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)N3C=CC4=C(C3=O)C=C(C=C4)CCCN5CCOCC5

InChI

InChI=1S/C27H28N4O4/c1-19-4-6-22(26(32)28-25-9-14-35-29-25)18-24(19)31-11-8-21-7-5-20(17-23(21)27(31)33)3-2-10-30-12-15-34-16-13-30/h4-9,11,14,17-18H,2-3,10,12-13,15-16H2,1H3,(H,28,29,32)