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

Systemtic Name: 2-azanyl-N-(3,4-dimethylphenyl)-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(3,4-dimethylphenyl)-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(3,4-dimethylphenyl)-1-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(3,4-dimethylphenyl)-1-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-(3,4-dimethylphenyl)-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H25N5O MolecularWeight: 435.5203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)N)C

InChI

InChI=1S/C27H25N5O/c1-17-12-13-20(16-18(17)2)29-27(33)23-24-26(31-22-11-7-6-10-21(22)30-24)32(25(23)28)15-14-19-8-4-3-5-9-19/h3-13,16H,14-15,28H2,1-2H3,(H,29,33)