2-[[bis[(2,4-dimethoxyphenyl)methyl]amino]-isoquinolin-6-yl-amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[bis[(2,4-dimethoxyphenyl)methyl]amino]-isoquinolin-6-yl-amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[bis[(2,4-dimethoxyphenyl)methyl]amino]-(6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[[bis[(2,4-dimethoxyphenyl)methyl]amino]-(6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[bis[(2,4-dimethoxyphenyl)methyl]amino]-isoquinolin-6-ylamino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: N-benzyl-2-[[bis(2,4-dimethoxybenzyl)amino]-(6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C47H52N4O7 MolecularWeight: 784.93838

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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(CC5=C(C=C(C=C5)OC)OC)CC6=C(C=C(C=C6)OC)OC)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(CC5=C(C=C(C=C5)OC)OC)CC6=C(C=C(C=C6)OC)OC)OC(C)C

InChI

InChI=1S/C47H52N4O7/c1-8-57-45-25-35(17-21-42(45)58-32(2)3)46(47(52)49-28-33-12-10-9-11-13-33)51(39-18-14-36-29-48-23-22-34(36)24-39)50(30-37-15-19-40(53-4)26-43(37)55-6)31-38-16-20-41(54-5)27-44(38)56-7/h9-27,29,32,46H,8,28,30-31H2,1-7H3,(H,49,52)