2-[7-(methylamino)-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate

Systemtic Name: 2-[7-(methylamino)-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate Openeye Name: 2-[7-(methylamino)-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate CAS Name: 2-[7-(methylamino)-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate IUPAC Name: 2-[7-(methylamino)-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Traditional Name: 2-[3-keto-7-(methylamino)-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Formula: C21H23N2O3- MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(CN(C(=O)C(C2)CC(=O)[O-])CCC3=CC=CC=C3)C=C1

Isomeric SMILES

CNC1=CC2=C(CN(C(=O)C(C2)CC(=O)[O-])CCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H24N2O3/c1-22-19-8-7-16-14-23(10-9-15-5-3-2-4-6-15)21(26)18(13-20(24)25)11-17(16)12-19/h2-8,12,18,22H,9-11,13-14H2,1H3,(H,24,25)/p-1