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

Systemtic Name: 2-azanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-homoveratryl-1-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)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)N)OC

InChI

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