bis[4-[6-(4-azanylphenoxy)-3-phenyl-quinoxalin-2-yl]phenyl]methanone

Systemtic Name: bis[4-[6-(4-azanylphenoxy)-3-phenyl-quinoxalin-2-yl]phenyl]methanone Openeye Name: bis[4-[6-(4-aminophenoxy)-3-phenyl-quinoxalin-2-yl]phenyl]methanone CAS Name: bis[4-[6-(4-aminophenoxy)-3-phenyl-2-quinoxalinyl]phenyl]methanone IUPAC Name: bis[4-[6-(4-aminophenoxy)-3-phenylquinoxalin-2-yl]phenyl]methanone Traditional Name: bis[4-[6-(4-aminophenoxy)-3-phenyl-quinoxalin-2-yl]phenyl]methanone Formula: C53H36N6O3 MolecularWeight: 804.89134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC4=CC=C(C=C4)N)N=C2C5=CC=C(C=C5)C(=O)C6=CC=C(C=C6)C7=NC8=C(C=C(C=C8)OC9=CC=C(C=C9)N)N=C7C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC4=CC=C(C=C4)N)N=C2C5=CC=C(C=C5)C(=O)C6=CC=C(C=C6)C7=NC8=C(C=C(C=C8)OC9=CC=C(C=C9)N)N=C7C1=CC=CC=C1

InChI

InChI=1S/C53H36N6O3/c54-39-19-23-41(24-20-39)61-43-27-29-45-47(31-43)58-49(33-7-3-1-4-8-33)51(56-45)35-11-15-37(16-12-35)53(60)38-17-13-36(14-18-38)52-50(34-9-5-2-6-10-34)59-48-32-44(28-30-46(48)57-52)62-42-25-21-40(55)22-26-42/h1-32H,54-55H2