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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N

InChI

InChI=1S/C29H29N5O/c1-2-3-9-21-14-16-22(17-15-21)34-27(30)25(29(35)31-19-18-20-10-5-4-6-11-20)26-28(34)33-24-13-8-7-12-23(24)32-26/h4-8,10-17H,2-3,9,18-19,30H2,1H3,(H,31,35)