2-methyl-4-phenyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]isoquinolin-1-one

Systemtic Name: 2-methyl-4-phenyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]isoquinolin-1-one Openeye Name: 2-methyl-4-phenyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]isoquinolin-1-one CAS Name: 2-methyl-4-phenyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]-1-isoquinolinone IUPAC Name: 2-methyl-4-phenyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]isoquinolin-1-one Traditional Name: 2-methyl-4-phenyl-3-[[(3,4,5-trimethoxybenzyl)amino]methyl]isocarbostyril Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CNCC4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CNCC4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C27H28N2O4/c1-29-22(17-28-16-18-14-23(31-2)26(33-4)24(15-18)32-3)25(19-10-6-5-7-11-19)20-12-8-9-13-21(20)27(29)30/h5-15,28H,16-17H2,1-4H3