2-[[1-(cyanomethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[1-(cyanomethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[1-(cyanomethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[1-(cyanomethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[1-(cyanomethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-(cyanomethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenyl-butyric acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1NC(CCC3=CC=CC=C3)C(=O)O)CC#N

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1NC(CCC3=CC=CC=C3)C(=O)O)CC#N

InChI

InChI=1S/C22H23N3O3/c23-14-15-25-20-9-5-4-8-17(20)11-13-18(21(25)26)24-19(22(27)28)12-10-16-6-2-1-3-7-16/h1-9,18-19,24H,10-13,15H2,(H,27,28)