1-[(3-azanyl-2,3-dimethyl-butyl)amino]-4-[(2,4-dimethylphenyl)amino]anthracene-9,10-dione

Systemtic Name: 1-[(3-azanyl-2,3-dimethyl-butyl)amino]-4-[(2,4-dimethylphenyl)amino]anthracene-9,10-dione Openeye Name: 1-[(3-amino-2,3-dimethyl-butyl)amino]-4-(2,4-dimethylanilino)anthracene-9,10-dione CAS Name: 1-[(3-amino-2,3-dimethylbutyl)amino]-4-(2,4-dimethylanilino)anthracene-9,10-dione IUPAC Name: 1-[(3-amino-2,3-dimethylbutyl)amino]-4-(2,4-dimethylanilino)anthracene-9,10-dione Traditional Name: 1-[(3-amino-2,3-dimethyl-butyl)amino]-4-(2,4-dimethylanilino)-9,10-anthraquinone Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NCC(C)C(C)(C)N)C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NCC(C)C(C)(C)N)C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C28H31N3O2/c1-16-10-11-21(17(2)14-16)31-23-13-12-22(30-15-18(3)28(4,5)29)24-25(23)27(33)20-9-7-6-8-19(20)26(24)32/h6-14,18,30-31H,15,29H2,1-5H3