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

Systemtic Name: 2-azanyl-1-(4-butoxyphenyl)-N-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-butoxyphenyl)-N-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butoxyphenyl)-N-phenyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-butoxyphenyl)-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-butoxyphenyl)-N-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=CC=CC=C5)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=CC=CC=C5)N

InChI

InChI=1S/C27H25N5O2/c1-2-3-17-34-20-15-13-19(14-16-20)32-25(28)23(27(33)29-18-9-5-4-6-10-18)24-26(32)31-22-12-8-7-11-21(22)30-24/h4-16H,2-3,17,28H2,1H3,(H,29,33)