2-[3-(isoquinolin-1-ylcarbonylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl]ethanoic acid

Systemtic Name: 2-[3-(isoquinolin-1-ylcarbonylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl]ethanoic acid Openeye Name: 2-[3-(isoquinoline-1-carbonylamino)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid CAS Name: 2-[3-[[1-isoquinolinyl(oxo)methyl]amino]-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid IUPAC Name: 2-[3-(isoquinoline-1-carbonylamino)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid Traditional Name: 2-[3-(isoquinoline-1-carbonylamino)-4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid Formula: C21H17N3O5 MolecularWeight: 391.37678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2O1)CC(=O)O)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1C(C(=O)N(C2=CC=CC=C2O1)CC(=O)O)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C21H17N3O5/c25-18(26)11-24-16-7-3-4-8-17(16)29-12-15(21(24)28)23-20(27)19-14-6-2-1-5-13(14)9-10-22-19/h1-10,15H,11-12H2,(H,23,27)(H,25,26)