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

Systemtic Name: 2-azanyl-N-(3,4-dimethoxyphenyl)-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(3,4-dimethoxyphenyl)-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(3,4-dimethoxyphenyl)-1-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(3,4-dimethoxyphenyl)-1-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-(3,4-dimethoxyphenyl)-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O3/c1-34-21-13-12-18(16-22(21)35-2)29-27(33)23-24-26(31-20-11-7-6-10-19(20)30-24)32(25(23)28)15-14-17-8-4-3-5-9-17/h3-13,16H,14-15,28H2,1-2H3,(H,29,33)