[2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C23H23N3O5/c1-14-7-6-8-15(2)21(14)25-19(27)12-26(3)20(28)13-31-23(30)18-11-16-9-4-5-10-17(16)22(29)24-18/h4-11H,12-13H2,1-3H3,(H,24,29)(H,25,27)