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

Systemtic Name: N-[4-(octylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]-4-(4-pentylphenyl)benzamide Openeye Name: N-[4-(octylamino)-9,10-dioxo-1-anthryl]-4-(4-pentylphenyl)benzamide CAS Name: N-[4-(octylamino)-9,10-dioxo-1-anthracenyl]-4-(4-pentylphenyl)benzamide IUPAC Name: N-[4-(octylamino)-9,10-dioxoanthracen-1-yl]-4-(4-pentylphenyl)benzamide Traditional Name: 4-(4-amylphenyl)-N-[9,10-diketo-4-(octylamino)-1-anthryl]benzamide Formula: C40H44N2O3 MolecularWeight: 600.78896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=C2C(=C(C=C1)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)CCCCC)C(=O)C5=CC=CC=C5C2=O

Isomeric SMILES

CCCCCCCCNC1=C2C(=C(C=C1)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)CCCCC)C(=O)C5=CC=CC=C5C2=O

InChI

InChI=1S/C40H44N2O3/c1-3-5-7-8-9-13-27-41-34-25-26-35(37-36(34)38(43)32-15-11-12-16-33(32)39(37)44)42-40(45)31-23-21-30(22-24-31)29-19-17-28(18-20-29)14-10-6-4-2/h11-12,15-26,41H,3-10,13-14,27H2,1-2H3,(H,42,45)