5-[bis(4-octylphenyl)amino]-5-(1-ethyl-2-methyl-indol-3-yl)furo[3,4-b]pyridin-7-one

Systemtic Name: 5-[bis(4-octylphenyl)amino]-5-(1-ethyl-2-methyl-indol-3-yl)furo[3,4-b]pyridin-7-one Openeye Name: 5-(1-ethyl-2-methyl-indol-3-yl)-5-(4-octyl-N-(4-octylphenyl)anilino)furo[3,4-b]pyridin-7-one CAS Name: 5-(1-ethyl-2-methyl-3-indolyl)-5-(4-octyl-N-(4-octylphenyl)anilino)-7-furo[3,4-b]pyridinone IUPAC Name: 5-(1-ethyl-2-methylindol-3-yl)-5-(4-octyl-N-(4-octylphenyl)anilino)furo[3,4-b]pyridin-7-one Traditional Name: 5-(1-ethyl-2-methyl-indol-3-yl)-5-(4-octyl-N-(4-octylphenyl)anilino)furo[3,4-b]pyridin-7-one Formula: C46H57N3O2 MolecularWeight: 683.96368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCCCCCCC)C3(C4=C(C(=O)O3)N=CC=C4)C5=C(N(C6=CC=CC=C65)CC)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCCCCCCC)C3(C4=C(C(=O)O3)N=CC=C4)C5=C(N(C6=CC=CC=C65)CC)C

InChI

InChI=1S/C46H57N3O2/c1-5-8-10-12-14-16-21-36-26-30-38(31-27-36)49(39-32-28-37(29-33-39)22-17-15-13-11-9-6-2)46(41-24-20-34-47-44(41)45(50)51-46)43-35(4)48(7-3)42-25-19-18-23-40(42)43/h18-20,23-34H,5-17,21-22H2,1-4H3