2-azanyl-1-(4-butylphenyl)-N-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(4-butylphenyl)-N-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-butylphenyl)-N-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butylphenyl)-N-(2,5-dimethylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-butylphenyl)-N-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-butylphenyl)-N-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C29H29N5O MolecularWeight: 463.57346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=C(C=CC(=C5)C)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=C(C=CC(=C5)C)C)N

InChI

InChI=1S/C29H29N5O/c1-4-5-8-20-13-15-21(16-14-20)34-27(30)25(29(35)33-24-17-18(2)11-12-19(24)3)26-28(34)32-23-10-7-6-9-22(23)31-26/h6-7,9-17H,4-5,8,30H2,1-3H3,(H,33,35)