2-azanyl-N-phenethyl-1-[(E)-(phenylmethylidene)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-phenethyl-1-[(E)-(phenylmethylidene)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(E)-benzylideneamino]-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-phenethyl-1-[(E)-(phenylmethylene)amino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(E)-benzylideneamino]-N-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[(E)-benzalamino]-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H22N6O MolecularWeight: 434.49248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=CC=C5)N

Isomeric SMILES

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

InChI

InChI=1S/C26H22N6O/c27-24-22(26(33)28-16-15-18-9-3-1-4-10-18)23-25(31-21-14-8-7-13-20(21)30-23)32(24)29-17-19-11-5-2-6-12-19/h1-14,17H,15-16,27H2,(H,28,33)/b29-17+