N-cyclopropyl-3-[2-[[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]methyl]-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[2-[[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]methyl]-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[2-[[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]methyl]-1-oxo-6-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[2-[[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]methyl]-1-oxo-6-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[2-[[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]methyl]-1-oxoisoquinolin-6-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[2-[3-[2-(2-hydroxyethylamino)ethoxy]benzyl]-1-keto-6-isoquinolyl]-4-methyl-benzamide Formula: C31H33N3O4 MolecularWeight: 511.61142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4)CC5=CC(=CC=C5)OCCNCCO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4)CC5=CC(=CC=C5)OCCNCCO

InChI

InChI=1S/C31H33N3O4/c1-21-5-6-25(30(36)33-26-8-9-26)19-29(21)23-7-10-28-24(18-23)11-14-34(31(28)37)20-22-3-2-4-27(17-22)38-16-13-32-12-15-35/h2-7,10-11,14,17-19,26,32,35H,8-9,12-13,15-16,20H2,1H3,(H,33,36)