N-cyclopropyl-4-methyl-3-[7-[3-[methyl(oxan-4-yl)amino]propoxy]-1-oxidanylidene-isoquinolin-2-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[7-[3-[methyl(oxan-4-yl)amino]propoxy]-1-oxidanylidene-isoquinolin-2-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[7-[3-[methyl(tetrahydropyran-4-yl)amino]propoxy]-1-oxo-2-isoquinolyl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[7-[3-[methyl(4-oxanyl)amino]propoxy]-1-oxo-2-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[7-[3-[methyl(oxan-4-yl)amino]propoxy]-1-oxoisoquinolin-2-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-keto-7-[3-[methyl(tetrahydropyran-4-yl)amino]propoxy]-2-isoquinolyl]-4-methyl-benzamide Formula: C29H35N3O4 MolecularWeight: 489.6059

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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)OCCCN(C)C5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCCN(C)C5CCOCC5

InChI

InChI=1S/C29H35N3O4/c1-20-4-5-22(28(33)30-23-7-8-23)18-27(20)32-14-10-21-6-9-25(19-26(21)29(32)34)36-15-3-13-31(2)24-11-16-35-17-12-24/h4-6,9-10,14,18-19,23-24H,3,7-8,11-13,15-17H2,1-2H3,(H,30,33)