N-(4-butylphenyl)-1,4-bis[(4-heptylphenyl)carbonylamino]-9,10-bis(oxidanylidene)anthracene-2-carboxamide

Systemtic Name: N-(4-butylphenyl)-1,4-bis[(4-heptylphenyl)carbonylamino]-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-(4-butylphenyl)-1,4-bis[(4-heptylbenzoyl)amino]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-(4-butylphenyl)-1,4-bis[[(4-heptylphenyl)-oxomethyl]amino]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-(4-butylphenyl)-1,4-bis[(4-heptylbenzoyl)amino]-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-(4-butylphenyl)-1,4-bis[(4-heptylbenzoyl)amino]-9,10-diketo-anthracene-2-carboxamide Formula: C53H59N3O5 MolecularWeight: 818.05266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=C(C(=C2)C(=O)NC4=CC=C(C=C4)CCCC)NC(=O)C5=CC=C(C=C5)CCCCCCC)C(=O)C6=CC=CC=C6C3=O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=C(C(=C2)C(=O)NC4=CC=C(C=C4)CCCC)NC(=O)C5=CC=C(C=C5)CCCCCCC)C(=O)C6=CC=CC=C6C3=O

InChI

InChI=1S/C53H59N3O5/c1-4-7-10-12-14-19-37-23-29-39(30-24-37)51(59)55-45-35-44(53(61)54-41-33-27-36(28-34-41)18-9-6-3)48(47-46(45)49(57)42-21-16-17-22-43(42)50(47)58)56-52(60)40-31-25-38(26-32-40)20-15-13-11-8-5-2/h16-17,21-35H,4-15,18-20H2,1-3H3,(H,54,61)(H,55,59)(H,56,60)