4-oxidanylidene-1-(phenylmethyl)-3-(pyridin-3-ylcarbamoyl)-5,6,7,8-tetrahydroquinolin-2-olate

Systemtic Name: 4-oxidanylidene-1-(phenylmethyl)-3-(pyridin-3-ylcarbamoyl)-5,6,7,8-tetrahydroquinolin-2-olate Openeye Name: 1-benzyl-4-oxo-3-(3-pyridylcarbamoyl)-5,6,7,8-tetrahydroquinolin-2-olate CAS Name: 4-oxo-3-[oxo-(3-pyridinylamino)methyl]-1-(phenylmethyl)-5,6,7,8-tetrahydroquinolin-2-olate IUPAC Name: 1-benzyl-4-oxo-3-(pyridin-3-ylcarbamoyl)-5,6,7,8-tetrahydroquinolin-2-olate Traditional Name: 1-benzyl-4-keto-3-(3-pyridylcarbamoyl)-5,6,7,8-tetrahydroquinolin-2-olate Formula: C22H20N3O3- MolecularWeight: 374.4125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)C(=C(N2CC3=CC=CC=C3)[O-])C(=O)NC4=CN=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=O)C(=C(N2CC3=CC=CC=C3)[O-])C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C22H21N3O3/c26-20-17-10-4-5-11-18(17)25(14-15-7-2-1-3-8-15)22(28)19(20)21(27)24-16-9-6-12-23-13-16/h1-3,6-9,12-13,28H,4-5,10-11,14H2,(H,24,27)/p-1