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

Systemtic Name: 2-azanyl-1-(4-iodophenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-iodophenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-iodophenyl)-N-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-iodophenyl)-N-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-iodophenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H20IN5O MolecularWeight: 533.36367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)I)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)I)N

InChI

InChI=1S/C25H20IN5O/c26-17-10-12-18(13-11-17)31-23(27)21(25(32)28-15-14-16-6-2-1-3-7-16)22-24(31)30-20-9-5-4-8-19(20)29-22/h1-13H,14-15,27H2,(H,28,32)