N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]quinoxaline-2-carboxamide

Systemtic Name: N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]quinoxaline-2-carboxamide Openeye Name: N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]quinoxaline-2-carboxamide CAS Name: N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]quinoxaline-2-carboxamide Traditional Name: N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]quinoxaline-2-carboxamide Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC(COC3=CC=C(C=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC(COC3=CC=C(C=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)O)OC

InChI

InChI=1S/C29H30N4O5/c1-36-27-13-19-11-12-33(16-20(19)14-28(27)37-2)17-22(34)18-38-23-9-7-21(8-10-23)31-29(35)26-15-30-24-5-3-4-6-25(24)32-26/h3-10,13-15,22,34H,11-12,16-18H2,1-2H3,(H,31,35)