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

Systemtic Name: N-[(3-acetamido-5-azanyl-phenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: N-[(3-acetamido-5-amino-phenyl)methyl]-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: N-[(3-acetamido-5-aminophenyl)methyl]-2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: N-[(3-acetamido-5-aminophenyl)methyl]-2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: N-(3-acetamido-5-amino-benzyl)-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C31H36N6O4 MolecularWeight: 556.65534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC(=CC(=C2)NC(=O)C)N)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC(=CC(=C2)NC(=O)C)N)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

InChI

InChI=1S/C31H36N6O4/c1-5-40-28-15-22(6-9-27(28)41-18(2)3)29(37-24-7-8-26-21(14-24)10-11-34-30(26)33)31(39)35-17-20-12-23(32)16-25(13-20)36-19(4)38/h6-16,18,29,37H,5,17,32H2,1-4H3,(H2,33,34)(H,35,39)(H,36,38)