N-[4-(octylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]-4-(4-octylphenyl)benzamide

Systemtic Name: N-[4-(octylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]-4-(4-octylphenyl)benzamide Openeye Name: N-[4-(octylamino)-9,10-dioxo-1-anthryl]-4-(4-octylphenyl)benzamide CAS Name: N-[4-(octylamino)-9,10-dioxo-1-anthracenyl]-4-(4-octylphenyl)benzamide IUPAC Name: N-[4-(octylamino)-9,10-dioxoanthracen-1-yl]-4-(4-octylphenyl)benzamide Traditional Name: N-[9,10-diketo-4-(octylamino)-1-anthryl]-4-(4-octylphenyl)benzamide Formula: C43H50N2O3 MolecularWeight: 642.8687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C4C(=C(C=C3)NCCCCCCCC)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C4C(=C(C=C3)NCCCCCCCC)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C43H50N2O3/c1-3-5-7-9-11-13-17-31-20-22-32(23-21-31)33-24-26-34(27-25-33)43(48)45-38-29-28-37(44-30-16-12-10-8-6-4-2)39-40(38)42(47)36-19-15-14-18-35(36)41(39)46/h14-15,18-29,44H,3-13,16-17,30H2,1-2H3,(H,45,48)