N-cyclopropyl-4-methyl-3-[7-(3-morpholin-4-ylpropoxy)-1-oxidanylidene-isoquinolin-2-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[7-(3-morpholin-4-ylpropoxy)-1-oxidanylidene-isoquinolin-2-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[7-(3-morpholinopropoxy)-1-oxo-2-isoquinolyl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[7-[3-(4-morpholinyl)propoxy]-1-oxo-2-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[7-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-2-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-keto-7-(3-morpholinopropoxy)-2-isoquinolyl]-4-methyl-benzamide Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCCN5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCCN5CCOCC5

InChI

InChI=1S/C27H31N3O4/c1-19-3-4-21(26(31)28-22-6-7-22)17-25(19)30-11-9-20-5-8-23(18-24(20)27(30)32)34-14-2-10-29-12-15-33-16-13-29/h3-5,8-9,11,17-18,22H,2,6-7,10,12-16H2,1H3,(H,28,31)