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

Systemtic Name: N-[4-(heptylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]-4-(4-octylphenyl)benzamide Openeye Name: N-[4-(heptylamino)-9,10-dioxo-1-anthryl]-4-(4-octylphenyl)benzamide CAS Name: N-[4-(heptylamino)-9,10-dioxo-1-anthracenyl]-4-(4-octylphenyl)benzamide IUPAC Name: N-[4-(heptylamino)-9,10-dioxoanthracen-1-yl]-4-(4-octylphenyl)benzamide Traditional Name: N-[4-(heptylamino)-9,10-diketo-1-anthryl]-4-(4-octylphenyl)benzamide Formula: C42H48N2O3 MolecularWeight: 628.84212

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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)NCCCCCCC)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)NCCCCCCC)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C42H48N2O3/c1-3-5-7-9-10-12-16-30-19-21-31(22-20-30)32-23-25-33(26-24-32)42(47)44-37-28-27-36(43-29-15-11-8-6-4-2)38-39(37)41(46)35-18-14-13-17-34(35)40(38)45/h13-14,17-28,43H,3-12,15-16,29H2,1-2H3,(H,44,47)