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

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-N-benzyl-2-(3-ethoxy-4-isopropoxy-phenyl)-N-methyl-acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-methylacetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-N-benzyl-2-(3-ethoxy-4-isopropoxy-phenyl)-N-methyl-acetamide Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)N(C)CC2=CC=CC=C2)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)N(C)CC2=CC=CC=C2)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

InChI

InChI=1S/C30H34N4O3/c1-5-36-27-18-23(11-14-26(27)37-20(2)3)28(30(35)34(4)19-21-9-7-6-8-10-21)33-24-12-13-25-22(17-24)15-16-32-29(25)31/h6-18,20,28,33H,5,19H2,1-4H3,(H2,31,32)