2-azanyl-1-[(3,4-dimethoxyphenyl)methyl]-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-[(3,4-dimethoxyphenyl)methyl]-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(3,4-dimethoxyphenyl)methyl]-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(3,4-dimethoxyphenyl)methyl]-N-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(3,4-dimethoxyphenyl)methyl]-N-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-phenethyl-1-veratryl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N)OC

InChI

InChI=1S/C28H27N5O3/c1-35-22-13-12-19(16-23(22)36-2)17-33-26(29)24(28(34)30-15-14-18-8-4-3-5-9-18)25-27(33)32-21-11-7-6-10-20(21)31-25/h3-13,16H,14-15,17,29H2,1-2H3,(H,30,34)