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

Systemtic Name: N-[4-(butylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]-4-(4-octylphenyl)benzamide Openeye Name: N-[4-(butylamino)-9,10-dioxo-1-anthryl]-4-(4-octylphenyl)benzamide CAS Name: N-[4-(butylamino)-9,10-dioxo-1-anthracenyl]-4-(4-octylphenyl)benzamide IUPAC Name: N-[4-(butylamino)-9,10-dioxoanthracen-1-yl]-4-(4-octylphenyl)benzamide Traditional Name: N-[4-(butylamino)-9,10-diketo-1-anthryl]-4-(4-octylphenyl)benzamide Formula: C39H42N2O3 MolecularWeight: 586.76238

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C39H42N2O3/c1-3-5-7-8-9-10-13-27-16-18-28(19-17-27)29-20-22-30(23-21-29)39(44)41-34-25-24-33(40-26-6-4-2)35-36(34)38(43)32-15-12-11-14-31(32)37(35)42/h11-12,14-25,40H,3-10,13,26H2,1-2H3,(H,41,44)