2-[5-cyano-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-1-yl]acetic acid CAS Name: 2-[5-cyano-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-cyano-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-1-yl]acetic acid Traditional Name: 2-[5-cyano-6-keto-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-1-yl]acetic acid Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N(C=N3)CC(=O)O)C#N

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N(C=N3)CC(=O)O)C#N

InChI

InChI=1S/C17H16N4O3/c18-9-14-16(19-11-21(17(14)24)10-15(22)23)20-7-5-12-3-1-2-4-13(12)6-8-20/h1-4,11H,5-8,10H2,(H,22,23)