2-(3-azido-8-ethyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)ethanoic acid

Systemtic Name: 2-(3-azido-8-ethyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)ethanoic acid Openeye Name: 2-(3-azido-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid CAS Name: 2-(3-azido-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid IUPAC Name: 2-(3-azido-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid Traditional Name: 2-(3-azido-8-ethyl-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)N=[N+]=[N-])C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)N=[N+]=[N-])C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3/c1-2-13-8-9-15-16(14-6-4-3-5-7-14)11-17(22-23-21)20(27)24(12-19(25)26)18(15)10-13/h3-10,16-17H,2,11-12H2,1H3,(H,25,26)