2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-[(2-morpholinophenyl)methyl]acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[[2-(4-morpholinyl)phenyl]methyl]acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(2-morpholinobenzyl)acetamide Formula: C33H39N5O4 MolecularWeight: 569.69386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2N3CCOCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2N3CCOCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C33H39N5O4/c1-4-41-30-20-24(9-12-29(30)42-22(2)3)31(37-26-10-11-27-23(19-26)13-14-35-32(27)34)33(39)36-21-25-7-5-6-8-28(25)38-15-17-40-18-16-38/h5-14,19-20,22,31,37H,4,15-18,21H2,1-3H3,(H2,34,35)(H,36,39)