3-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(pyridin-3-ylamino)propanoyl]-1-methyl-2-oxidanyl-quinolin-4-one

Systemtic Name: 3-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(pyridin-3-ylamino)propanoyl]-1-methyl-2-oxidanyl-quinolin-4-one Openeye Name: 3-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(3-pyridylamino)propanoyl]-2-hydroxy-1-methyl-quinolin-4-one CAS Name: 3-[(3R)-3-(1,3-benzodioxol-5-yl)-1-oxo-3-(3-pyridinylamino)propyl]-2-hydroxy-1-methyl-4-quinolinone IUPAC Name: 3-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(pyridin-3-ylamino)propanoyl]-2-hydroxy-1-methylquinolin-4-one Traditional Name: 3-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(3-pyridylamino)propanoyl]-2-hydroxy-1-methyl-4-quinolone Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)CC(C3=CC4=C(C=C3)OCO4)NC5=CN=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C[C@H](C3=CC4=C(C=C3)OCO4)NC5=CN=CC=C5

InChI

InChI=1S/C25H21N3O5/c1-28-19-7-3-2-6-17(19)24(30)23(25(28)31)20(29)12-18(27-16-5-4-10-26-13-16)15-8-9-21-22(11-15)33-14-32-21/h2-11,13,18,27,31H,12,14H2,1H3/t18-/m1/s1