1-[3-azanyl-6-[4-azanyl-3-methyl-2-(3-oxidanylidenebutanoyl)phenyl]-2-methyl-phenyl]butane-1,3-dione

Systemtic Name: 1-[3-azanyl-6-[4-azanyl-3-methyl-2-(3-oxidanylidenebutanoyl)phenyl]-2-methyl-phenyl]butane-1,3-dione Openeye Name: 1-[3-amino-6-[4-amino-3-methyl-2-(3-oxobutanoyl)phenyl]-2-methyl-phenyl]butane-1,3-dione CAS Name: 1-[3-amino-6-[4-amino-2-(1,3-dioxobutyl)-3-methylphenyl]-2-methylphenyl]butane-1,3-dione IUPAC Name: 1-[3-amino-6-[4-amino-3-methyl-2-(3-oxobutanoyl)phenyl]-2-methylphenyl]butane-1,3-dione Traditional Name: 1-[6-(2-acetoacetyl-4-amino-3-methyl-phenyl)-3-amino-2-methyl-phenyl]butane-1,3-dione Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)CC(=O)C)C2=C(C(=C(C=C2)N)C)C(=O)CC(=O)C)N

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)CC(=O)C)C2=C(C(=C(C=C2)N)C)C(=O)CC(=O)C)N

InChI

InChI=1S/C22H24N2O4/c1-11(25)9-19(27)21-13(3)17(23)7-5-15(21)16-6-8-18(24)14(4)22(16)20(28)10-12(2)26/h5-8H,9-10,23-24H2,1-4H3