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

Systemtic Name: 2-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-homoveratryl-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N)OC

InChI

InChI=1S/C29H29N5O3/c1-36-23-13-12-20(18-24(23)37-2)15-17-34-27(30)25(29(35)31-16-14-19-8-4-3-5-9-19)26-28(34)33-22-11-7-6-10-21(22)32-26/h3-13,18H,14-17,30H2,1-2H3,(H,31,35)