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

Systemtic Name: 2-azanyl-1-(4-butylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-butylphenyl)-N-(2-thienylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butylphenyl)-N-(thiophen-2-ylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-butylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-butylphenyl)-N-(2-thenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H25N5OS MolecularWeight: 455.5746

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)NCC5=CC=CS5)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CS5)N

InChI

InChI=1S/C26H25N5OS/c1-2-3-7-17-11-13-18(14-12-17)31-24(27)22(26(32)28-16-19-8-6-15-33-19)23-25(31)30-21-10-5-4-9-20(21)29-23/h4-6,8-15H,2-3,7,16,27H2,1H3,(H,28,32)