3-[(7R)-7-(4-dimethylaminophenyl)-3-oxidanylidene-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-dione

Systemtic Name: 3-[(7R)-7-(4-dimethylaminophenyl)-3-oxidanylidene-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-dione Openeye Name: 3-[(7R)-7-(4-dimethylaminophenyl)-3-oxo-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-dione CAS Name: 3-[(7R)-7-(4-dimethylaminophenyl)-3-oxo-1,2,4-triazepan-5-ylidene]-1-methylquinoline-2,4-dione IUPAC Name: 3-[(7R)-7-(4-dimethylaminophenyl)-3-oxo-1,2,4-triazepan-5-ylidene]-1-methylquinoline-2,4-dione Traditional Name: 3-[(7R)-7-(4-dimethylaminophenyl)-3-keto-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-quinone Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C3CC(NNC(=O)N3)C4=CC=C(C=C4)N(C)C)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C3C[C@@H](NNC(=O)N3)C4=CC=C(C=C4)N(C)C)C1=O

InChI

InChI=1S/C22H23N5O3/c1-26(2)14-10-8-13(9-11-14)16-12-17(23-22(30)25-24-16)19-20(28)15-6-4-5-7-18(15)27(3)21(19)29/h4-11,16,24H,12H2,1-3H3,(H2,23,25,30)/t16-/m1/s1