N-[(5-acetamido-2-morpholin-4-yl-phenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: N-[(5-acetamido-2-morpholin-4-yl-phenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: N-[(5-acetamido-2-morpholino-phenyl)methyl]-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: N-[[5-acetamido-2-(4-morpholinyl)phenyl]methyl]-2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: N-[(5-acetamido-2-morpholin-4-ylphenyl)methyl]-2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: N-(5-acetamido-2-morpholino-benzyl)-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C35H42N6O5 MolecularWeight: 626.74518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)C)N3CCOCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)C)N3CCOCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C35H42N6O5/c1-5-45-32-20-25(6-11-31(32)46-22(2)3)33(40-28-7-9-29-24(18-28)12-13-37-34(29)36)35(43)38-21-26-19-27(39-23(4)42)8-10-30(26)41-14-16-44-17-15-41/h6-13,18-20,22,33,40H,5,14-17,21H2,1-4H3,(H2,36,37)(H,38,43)(H,39,42)