1-azanyl-4-[(4-methylphenyl)amino]-2-(2-phenylethynyl)anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-[(4-methylphenyl)amino]-2-(2-phenylethynyl)anthracene-9,10-dione Openeye Name: 1-amino-4-(4-methylanilino)-2-(2-phenylethynyl)anthracene-9,10-dione CAS Name: 1-amino-4-(4-methylanilino)-2-(2-phenylethynyl)anthracene-9,10-dione IUPAC Name: 1-amino-4-(4-methylanilino)-2-(2-phenylethynyl)anthracene-9,10-dione Traditional Name: 1-amino-2-(2-phenylethynyl)-4-(p-toluidino)-9,10-anthraquinone Formula: C29H20N2O2 MolecularWeight: 428.4813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C(=C(C(=C2)C#CC4=CC=CC=C4)N)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C(=C2)C#CC4=CC=CC=C4)N)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C29H20N2O2/c1-18-11-15-21(16-12-18)31-24-17-20(14-13-19-7-3-2-4-8-19)27(30)26-25(24)28(32)22-9-5-6-10-23(22)29(26)33/h2-12,15-17,31H,30H2,1H3