3-(2-hydroxyphenyl)-1-[(phenylmethyl)amino]pyrazino[1,2-b]isoquinolin-6-one

Systemtic Name: 3-(2-hydroxyphenyl)-1-[(phenylmethyl)amino]pyrazino[1,2-b]isoquinolin-6-one Openeye Name: 1-(benzylamino)-3-(2-hydroxyphenyl)pyrazino[1,2-b]isoquinolin-6-one CAS Name: 3-(2-hydroxyphenyl)-1-[(phenylmethyl)amino]-6-pyrazino[1,2-b]isoquinolinone IUPAC Name: 1-(benzylamino)-3-(2-hydroxyphenyl)pyrazino[1,2-b]isoquinolin-6-one Traditional Name: 1-(benzylamino)-3-(2-hydroxyphenyl)pyrazin[1,2-b]isoquinolin-6-one Formula: C25H19N3O2 MolecularWeight: 393.43726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=CN3C2=CC4=CC=CC=C4C3=O)C5=CC=CC=C5O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=CN3C2=CC4=CC=CC=C4C3=O)C5=CC=CC=C5O

InChI

InChI=1S/C25H19N3O2/c29-23-13-7-6-12-20(23)21-16-28-22(14-18-10-4-5-11-19(18)25(28)30)24(27-21)26-15-17-8-2-1-3-9-17/h1-14,16,29H,15H2,(H,26,27)