2-azanyl-1,5-bis[(4-methylphenyl)amino]-4,8-bis(phenylcarbonyl)anthracene-9,10-dione

Systemtic Name: 2-azanyl-1,5-bis[(4-methylphenyl)amino]-4,8-bis(phenylcarbonyl)anthracene-9,10-dione Openeye Name: 2-amino-4,8-dibenzoyl-1,5-bis(4-methylanilino)anthracene-9,10-dione CAS Name: 2-amino-4,8-dibenzoyl-1,5-bis(4-methylanilino)anthracene-9,10-dione IUPAC Name: 2-amino-4,8-dibenzoyl-1,5-bis(4-methylanilino)anthracene-9,10-dione Traditional Name: 2-amino-4,8-dibenzoyl-1,5-bis(p-toluidino)-9,10-anthraquinone Formula: C42H31N3O4 MolecularWeight: 641.71324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)C(=O)C4=CC=CC=C4)C(=O)C5=C(C3=O)C(=CC(=C5NC6=CC=C(C=C6)C)N)C(=O)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)C(=O)C4=CC=CC=C4)C(=O)C5=C(C3=O)C(=CC(=C5NC6=CC=C(C=C6)C)N)C(=O)C7=CC=CC=C7

InChI

InChI=1S/C42H31N3O4/c1-24-13-17-28(18-14-24)44-33-22-21-30(39(46)26-9-5-3-6-10-26)34-36(33)41(48)35-31(40(47)27-11-7-4-8-12-27)23-32(43)38(37(35)42(34)49)45-29-19-15-25(2)16-20-29/h3-23,44-45H,43H2,1-2H3