2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-(6-oxidanylidene-7H-benzo[d][1]benzazepin-5-yl)propanamide

Systemtic Name: 2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-(6-oxidanylidene-7H-benzo[d][1]benzazepin-5-yl)propanamide Openeye Name: 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(6-oxo-7H-benzo[d][1]benzazepin-5-yl)propanamide CAS Name: 2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-N-(6-oxo-7H-benzo[d][1]benzazepin-5-yl)propanamide IUPAC Name: 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(6-oxo-7H-benzo[d][1]benzazepin-5-yl)propanamide Traditional Name: 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(6-keto-7H-benzo[d][1]benzazepin-5-yl)propionamide Formula: C25H21F2N3O3 MolecularWeight: 449.449346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN1C(=O)CC2=CC=CC=C2C3=CC=CC=C31)NC(=O)CC4=CC(=CC(=C4)F)F

Isomeric SMILES

CC(C(=O)NN1C(=O)CC2=CC=CC=C2C3=CC=CC=C31)NC(=O)CC4=CC(=CC(=C4)F)F

InChI

InChI=1S/C25H21F2N3O3/c1-15(28-23(31)12-16-10-18(26)14-19(27)11-16)25(33)29-30-22-9-5-4-8-21(22)20-7-3-2-6-17(20)13-24(30)32/h2-11,14-15H,12-13H2,1H3,(H,28,31)(H,29,33)