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

Systemtic Name: 5-[bis(4-octylphenyl)amino]-5-(1-ethyl-2-methyl-indol-3-yl)furo[3,4-b]pyrazin-7-one Openeye Name: 5-(1-ethyl-2-methyl-indol-3-yl)-5-(4-octyl-N-(4-octylphenyl)anilino)furo[3,4-b]pyrazin-7-one CAS Name: 5-(1-ethyl-2-methyl-3-indolyl)-5-(4-octyl-N-(4-octylphenyl)anilino)-7-furo[3,4-b]pyrazinone IUPAC Name: 5-(1-ethyl-2-methylindol-3-yl)-5-(4-octyl-N-(4-octylphenyl)anilino)furo[3,4-b]pyrazin-7-one Traditional Name: 5-(1-ethyl-2-methyl-indol-3-yl)-5-(4-octyl-N-(4-octylphenyl)anilino)furo[3,4-b]pyrazin-7-one Formula: C45H56N4O2 MolecularWeight: 684.95174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCCCCCCC)C3(C4=NC=CN=C4C(=O)O3)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=NC=CN=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CC)C

InChI

InChI=1S/C45H56N4O2/c1-5-8-10-12-14-16-20-35-24-28-37(29-25-35)49(38-30-26-36(27-31-38)21-17-15-13-11-9-6-2)45(43-42(44(50)51-45)46-32-33-47-43)41-34(4)48(7-3)40-23-19-18-22-39(40)41/h18-19,22-33H,5-17,20-21H2,1-4H3