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

Systemtic Name: 3-[(3S)-3-(1,3-benzodioxol-5-yl)-3-(pyridin-4-ylmethylamino)propanoyl]-1-methyl-2-oxidanyl-quinolin-4-one Openeye Name: 3-[(3S)-3-(1,3-benzodioxol-5-yl)-3-(4-pyridylmethylamino)propanoyl]-2-hydroxy-1-methyl-quinolin-4-one CAS Name: 3-[(3S)-3-(1,3-benzodioxol-5-yl)-1-oxo-3-(pyridin-4-ylmethylamino)propyl]-2-hydroxy-1-methyl-4-quinolinone IUPAC Name: 3-[(3S)-3-(1,3-benzodioxol-5-yl)-3-(pyridin-4-ylmethylamino)propanoyl]-2-hydroxy-1-methylquinolin-4-one Traditional Name: 3-[(3S)-3-(1,3-benzodioxol-5-yl)-3-(4-pyridylmethylamino)propanoyl]-2-hydroxy-1-methyl-4-quinolone Formula: C26H23N3O5 MolecularWeight: 457.47792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)CC(C3=CC4=C(C=C3)OCO4)NCC5=CC=NC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C[C@@H](C3=CC4=C(C=C3)OCO4)NCC5=CC=NC=C5

InChI

InChI=1S/C26H23N3O5/c1-29-20-5-3-2-4-18(20)25(31)24(26(29)32)21(30)13-19(28-14-16-8-10-27-11-9-16)17-6-7-22-23(12-17)34-15-33-22/h2-12,19,28,32H,13-15H2,1H3/t19-/m0/s1