2,3-bis[5-[3,3-bis(1H-pyrrol-2-yl)butyl]-1H-pyrrol-2-yl]-6-nitro-quinoxaline

Systemtic Name: 2,3-bis[5-[3,3-bis(1H-pyrrol-2-yl)butyl]-1H-pyrrol-2-yl]-6-nitro-quinoxaline Openeye Name: 2,3-bis[5-[3,3-bis(1H-pyrrol-2-yl)butyl]-1H-pyrrol-2-yl]-6-nitro-quinoxaline CAS Name: 2,3-bis[5-[3,3-bis(1H-pyrrol-2-yl)butyl]-1H-pyrrol-2-yl]-6-nitroquinoxaline IUPAC Name: 2,3-bis[5-[3,3-bis(1H-pyrrol-2-yl)butyl]-1H-pyrrol-2-yl]-6-nitroquinoxaline Traditional Name: 2,3-bis[5-[3,3-bis(1H-pyrrol-2-yl)butyl]-1H-pyrrol-2-yl]-6-nitro-quinoxaline Formula: C40H39N9O2 MolecularWeight: 677.79676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C4=CC=C(N4)CCC(C)(C5=CC=CN5)C6=CC=CN6)(C7=CC=CN7)C8=CC=CN8

Isomeric SMILES

CC(CCC1=CC=C(N1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C4=CC=C(N4)CCC(C)(C5=CC=CN5)C6=CC=CN6)(C7=CC=CN7)C8=CC=CN8

InChI

InChI=1S/C40H39N9O2/c1-39(33-7-3-21-41-33,34-8-4-22-42-34)19-17-26-11-14-30(45-26)37-38(48-32-25-28(49(50)51)13-16-29(32)47-37)31-15-12-27(46-31)18-20-40(2,35-9-5-23-43-35)36-10-6-24-44-36/h3-16,21-25,41-46H,17-20H2,1-2H3