2-[azanyl(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[azanyl(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(phenylmethyl)ethanamide Openeye Name: 2-[amino(6-isoquinolyl)amino]-N-benzyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[amino(6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-(phenylmethyl)acetamide IUPAC Name: 2-[amino(isoquinolin-6-yl)amino]-N-benzyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[amino(6-isoquinolyl)amino]-N-benzyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H32N4O3/c1-4-35-27-17-23(11-13-26(27)36-20(2)3)28(29(34)32-18-21-8-6-5-7-9-21)33(30)25-12-10-24-19-31-15-14-22(24)16-25/h5-17,19-20,28H,4,18,30H2,1-3H3,(H,32,34)