5-methyl-8-[methyl-(phenylmethyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 5-methyl-8-[methyl-(phenylmethyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-[benzyl(methyl)carbamoyl]-5-methyl-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 5-methyl-8-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[benzyl(methyl)carbamoyl]-5-methyl-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-[benzyl(methyl)carbamoyl]-4-keto-5-methyl-3H-1,10-phenanthroline-3-carboxylic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CN=C2C3=C1C(=O)C(C=N3)C(=O)O)C(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=CC(=CN=C2C3=C1C(=O)C(C=N3)C(=O)O)C(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O4/c1-13-8-15-9-16(22(28)26(2)12-14-6-4-3-5-7-14)10-24-19(15)20-18(13)21(27)17(11-25-20)23(29)30/h3-11,17H,12H2,1-2H3,(H,29,30)