4-butyl-N-[3-butyl-4-[(4-butylphenyl)carbonylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]benzamide

Systemtic Name: 4-butyl-N-[3-butyl-4-[(4-butylphenyl)carbonylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]benzamide Openeye Name: 4-butyl-N-[3-butyl-4-[(4-butylbenzoyl)amino]-9,10-dioxo-1-anthryl]benzamide CAS Name: 4-butyl-N-[3-butyl-4-[[(4-butylphenyl)-oxomethyl]amino]-9,10-dioxo-1-anthracenyl]benzamide IUPAC Name: 4-butyl-N-[3-butyl-4-[(4-butylbenzoyl)amino]-9,10-dioxoanthracen-1-yl]benzamide Traditional Name: 4-butyl-N-[3-butyl-4-[(4-butylbenzoyl)amino]-9,10-diketo-1-anthryl]benzamide Formula: C40H42N2O4 MolecularWeight: 614.77248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=C(C(=C2)CCCC)NC(=O)C4=CC=C(C=C4)CCCC)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=C(C(=C2)CCCC)NC(=O)C4=CC=C(C=C4)CCCC)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C40H42N2O4/c1-4-7-12-26-17-21-28(22-18-26)39(45)41-33-25-30(14-9-6-3)36(42-40(46)29-23-19-27(20-24-29)13-8-5-2)35-34(33)37(43)31-15-10-11-16-32(31)38(35)44/h10-11,15-25H,4-9,12-14H2,1-3H3,(H,41,45)(H,42,46)